Compound Identification
SMILES
CC1(C)C(\C=C\C2=C(SC3=CC=C([NH3+])C=C3)\C(\CCC2)=C\C=C2/C(C)(C)C3=C(C=CC4=C3C=CC(=C4)S([O-])(=O)=O)[N+]22CC2S([O-])(=O)=O)=[N+](CCS([O-])(=O)=O)C2=C1C1=C(C=C2)C=C(SOO[O-])C=C1
InChIKey
InChIKey=OELGUISCVQDOSN-QGYHSPHASA-M
Formula
C48H46N3O12S5
Mass
1017.21
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 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Aryl thioethers Aniline and substituted anilines Sulfonyls Organosulfonic acids N-vinylaziridines Alkanesulfonic acids Thioenol ethers Sulfenyl compounds Azacyclic compounds Organic salts Amines Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl thioether - Aniline or substituted anilines - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - N-vinylaziridine - Vinylaziridine - Thioenolether - Sulfenyl compound - Aziridine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic 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