Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.COCCO[C@H]1[C@H](O)[C@H](NC2=C1C=CN1C(C)=C(C)N=C21)C1=CC=CC=C1
InChIKey
InChIKey=HOWFMTUHSQCTSK-YGJXXQMASA-N
Formula
C31H33N3O9S2
Mass
655.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Naphthyridines 1-sulfo,2-unsubstituted aromatic compounds Imidazo[1,2-a]pyridines Secondary alkylarylamines Aralkylamines Pyridines and derivatives Benzene and substituted derivatives N-substituted imidazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Diazanaphthalene - Naphthyridine - Arylsulfonic acid or derivatives - Imidazo[1,2-a]pyridine - 1-sulfo,2-unsubstituted aromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Azacycle - Dialkyl ether - Ether - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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