3-[(1-azanyl-6-methoxy-3-methyl-cyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 3-[(1-azanyl-6-methoxy-3-methyl-cyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Openeye Name: 3-(1-amino-6-methoxy-3-methyl-cyclohexa-2,4-dien-1-yl)azobenzenesulfonic acid CAS Name: 3-[(1-amino-6-methoxy-3-methyl-1-cyclohexa-2,4-dienyl)azo]benzenesulfonic acid IUPAC Name: 3-[(1-amino-6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Traditional Name: 3-(1-amino-6-methoxy-3-methyl-cyclohexa-2,4-dien-1-yl)azobesylic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-10-6-7-13(21-2)14(15,9-10)17-16-11-4-3-5-12(8-11)22(18,19)20/h3-9,13H,15H2,1-2H3,(H,18,19,20)