Compound Identification
SMILES
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1C)N=Nc1ccc(N=Nc2ccc(Nc3ccc(cc3S(O)(=O)=O)N(=O)=O)cc2)c2ccc(cc12)S(O)(=O)=O
InChIKey
InChIKey=FECGXKTXMYZTJP-UHFFFAOYSA-N
Formula
C36H28N6O11S3
Mass
816.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
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
-
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 p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Nitroaromatic compounds Aniline and substituted anilines Organosulfonic acid esters Sulfonyls Organosulfonic acids Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Toluene - Organosulfonic acid ester - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - 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