2-[(4-aminophenyl)diazenyl]-1,4-dimethyl-cyclohexa-2,5-diene-1,4-disulfonic acid

Systemtic Name: 2-[(4-aminophenyl)diazenyl]-1,4-dimethyl-cyclohexa-2,5-diene-1,4-disulfonic acid Openeye Name: 2-(4-aminophenyl)azo-1,4-dimethyl-cyclohexa-2,5-diene-1,4-disulfonic acid CAS Name: 2-(4-aminophenyl)azo-1,4-dimethylcyclohexa-2,5-diene-1,4-disulfonic acid IUPAC Name: 2-[(4-aminophenyl)diazenyl]-1,4-dimethylcyclohexa-2,5-diene-1,4-disulfonic acid Traditional Name: 2-(4-aminophenyl)azo-1,4-dimethyl-cyclohexa-2,5-diene-1,4-disulfonic acid Formula: C14H17N3O6S2 MolecularWeight: 387.43128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)N=NC2=CC=C(C=C2)N)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1(C=CC(C(=C1)N=NC2=CC=C(C=C2)N)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H17N3O6S2/c1-13(24(18,19)20)7-8-14(2,25(21,22)23)12(9-13)17-16-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3,(H,18,19,20)(H,21,22,23)