Compound Identification
SMILES
CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCS(O)(=O)=O)C3=C(C4=C(C=C3)C=C(C=C4)S(O)(=O)=O)C2(C)C)N(CCS(O)(=O)=O)C2=C1C1=C(C=C2)C=C(SOOO)C=C1
InChIKey
InChIKey=LRUPDMDVAAJTJM-UHFFFAOYSA-O
Formula
C39H41N2O12S4
Mass
858.0
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
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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 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Sulfonyls Organosulfonic acids Alkanesulfonic acids Sulfenyl compounds Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 3-alkylindole - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Indole or derivatives - Tertiary aliphatic/aromatic amine - Organosulfonic acid or derivatives - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Organic sulfonic acid or derivatives - Tertiary amine - Enamine - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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