4-[(4-bromophenyl)sulfanylmethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-3-nitro-benzoic acid CAS Name: 4-[[(4-bromophenyl)thio]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-3-nitrobenzoic acid Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-3-nitro-benzoic acid Formula: C14H10BrNO4S MolecularWeight: 368.2025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C14H10BrNO4S/c15-11-3-5-12(6-4-11)21-8-10-2-1-9(14(17)18)7-13(10)16(19)20/h1-7H,8H2,(H,17,18)