2-(2-azanyl-4-chloranyl-5-methoxy-phenyl)sulfanylbenzoic acid hydrobromide

Systemtic Name: 2-(2-azanyl-4-chloranyl-5-methoxy-phenyl)sulfanylbenzoic acid hydrobromide Openeye Name: 2-(2-amino-4-chloro-5-methoxy-phenyl)sulfanylbenzoic acid hydrobromide CAS Name: 2-[(2-amino-4-chloro-5-methoxyphenyl)thio]benzoic acid hydrobromide IUPAC Name: 2-(2-amino-4-chloro-5-methoxyphenyl)sulfanylbenzoic acid hydrobromide Traditional Name: 2-[(2-amino-4-chloro-5-methoxy-phenyl)thio]benzoic acid hydrobromide Formula: C14H13BrClNO3S MolecularWeight: 390.67992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)SC2=CC=CC=C2C(=O)O)N)Cl.Br

Isomeric SMILES

COC1=C(C=C(C(=C1)SC2=CC=CC=C2C(=O)O)N)Cl.Br

InChI

InChI=1S/C14H12ClNO3S.BrH/c1-19-11-7-13(10(16)6-9(11)15)20-12-5-3-2-4-8(12)14(17)18;/h2-7H,16H2,1H3,(H,17,18);1H