Compound Identification
SMILES
CC1=C(C=CC(NC2=NC(NC3=CC=CC=C3S(O)(=O)=O)=NC(F)=N2)=C1)N=NC1=C2C=CC(=CC2=C(C=C1)N=NC1=CC(=C2C=C(C=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=QQLXHXWMCOEODT-UHFFFAOYSA-N
Formula
C36H26FN9O15S5
Mass
1003.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
-
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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Halo-S-triazines Toluenes Aryl fluorides Heteroaromatic compounds Organosulfonic acids Sulfonyls Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Halo-s-triazine - Aminotriazine - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organosulfur compound - 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