Compound Identification
SMILES
CC1(C)C(\C=C\C2=C(SC3=CC=C(N)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(SOOO)C=C1
InChIKey
InChIKey=OELGUISCVQDOSN-QGYHSPHASA-P
Formula
C48H49N3O12S5
Mass
1020.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
-
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 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aryl thioethers Sulfonyls Alkanesulfonic acids Organosulfonic acids N-vinylaziridines Thioenol ethers Azacyclic compounds Sulfenyl compounds Primary 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 - 1-sulfo,2-unsubstituted aromatic compound - Indole or derivatives - Aryl thioether - Aniline or substituted anilines - Monocyclic benzene moiety - Organosulfonic acid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Vinylaziridine - N-vinylaziridine - Thioenolether - Aziridine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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