Compound Identification
SMILES
CC1=C(C=CC(NC2=NC(=O)N=C(NC3=CC(NC(N)=O)=C(C=C3)N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)=O)N2)=C1)N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=IXLCFZWZPQLKIX-UHFFFAOYSA-N
Formula
C37H29N11O13S4
Mass
963.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Triazinones Toluenes Aminotriazines 1,3,5-triazines Sulfonyls Sulfinic acids Organosulfonic acids Heteroaromatic compounds Azo compounds Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - N-phenylurea - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Toluene - Triazinone - Triazine - Monocyclic benzene moiety - 1,3,5-triazine - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Sulfinic acid - Urea - Azo compound - Sulfinic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available