3-[(4-azanyl-3-bromanyl-5-methoxy-phenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 3-[(4-azanyl-3-bromanyl-5-methoxy-phenyl)diazenyl]benzenesulfonic acid Openeye Name: 3-(4-amino-3-bromo-5-methoxy-phenyl)azobenzenesulfonic acid CAS Name: 3-(4-amino-3-bromo-5-methoxyphenyl)azobenzenesulfonic acid IUPAC Name: 3-[(4-amino-3-bromo-5-methoxyphenyl)diazenyl]benzenesulfonic acid Traditional Name: 3-(4-amino-3-bromo-5-methoxy-phenyl)azobesylic acid Formula: C13H12BrN3O4S MolecularWeight: 386.22108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)Br)N

Isomeric SMILES

COC1=C(C(=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)Br)N

InChI

InChI=1S/C13H12BrN3O4S/c1-21-12-7-9(6-11(14)13(12)15)17-16-8-3-2-4-10(5-8)22(18,19)20/h2-7H,15H2,1H3,(H,18,19,20)