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

Systemtic Name: 4-[(1-azanyl-6-methoxy-cyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-(1-amino-6-methoxy-cyclohexa-2,4-dien-1-yl)azobenzenesulfonic acid CAS Name: 4-[(1-amino-6-methoxy-1-cyclohexa-2,4-dienyl)azo]benzenesulfonic acid IUPAC Name: 4-[(1-amino-6-methoxycyclohexa-2,4-dien-1-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-(1-amino-6-methoxy-cyclohexa-2,4-dien-1-yl)azobesylic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC=CC1(N)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

COC1C=CC=CC1(N)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-20-12-4-2-3-9-13(12,14)16-15-10-5-7-11(8-6-10)21(17,18)19/h2-9,12H,14H2,1H3,(H,17,18,19)