Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)S(OS(=O)(=O)C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C2=CC=CC=C12)(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=MLJUUYLAHOMXSC-UHFFFAOYSA-N
Formula
C46H50O6S3
Mass
795.08
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
-
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 Benzenesulfonate esters Phenylpropanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Benzenesulfonate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Monocyclic benzene moiety - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic 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