3,3-bis(azanyl)-4-methyl-6-(5-methyl-2-sulfo-phenyl)cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 3,3-bis(azanyl)-4-methyl-6-(5-methyl-2-sulfo-phenyl)cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3,3-diamino-4-methyl-6-(5-methyl-2-sulfo-phenyl)cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3,3-diamino-4-methyl-6-(5-methyl-2-sulfophenyl)-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3,3-diamino-4-methyl-6-(5-methyl-2-sulfophenyl)cyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3,3-diamino-4-methyl-6-(5-methyl-2-sulfo-phenyl)cyclohexa-1,4-diene-1-sulfonic acid Formula: C14H18N2O6S2 MolecularWeight: 374.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C2C=C(C(C=C2S(=O)(=O)O)(N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C2C=C(C(C=C2S(=O)(=O)O)(N)N)C

InChI

InChI=1S/C14H18N2O6S2/c1-8-3-4-12(23(17,18)19)10(5-8)11-6-9(2)14(15,16)7-13(11)24(20,21)22/h3-7,11H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)