Compound Identification
SMILES
[Na+].COC1=CC(N=NC2=C(C=C3C(C=CC(N)=C3N=NC3=C(C=C(C=C3)[N+]([O-])=O)C([O-])=O)=C2O)S(O)(=O)=O)=C(OC)C=C1N=NC1=C2C=C(C=CC2=C(C=C1)N=NC1=CC(C(O)=O)=C(O)C=C1)S(O)(=O)=O
InChIKey
InChIKey=IEQCYSWMPQNZHR-UHFFFAOYSA-M
Formula
C42H29N10NaO16S2
Mass
1016.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
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Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Nitrobenzoic acids and derivatives Naphthols and derivatives Dimethoxybenzenes Salicylic acids Benzoic acids Methoxyanilines Nitrobenzenes 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Nitroaromatic compounds Phenoxy compounds Anisoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Sulfonyls Organosulfonic acids Amino acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives Organic sodium salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Nitrobenzoate - 1-naphthol - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Dimethoxybenzene - P-dimethoxybenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Arylsulfonic acid or derivatives - Methoxyaniline - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Nitroaromatic compound - Phenol ether - Benzoyl - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Vinylogous acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Amino acid or derivatives - Azo compound - Amino acid - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Organooxygen compound - Amine - Primary amine - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available