3-bromanyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid

Systemtic Name: 3-bromanyl-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid Openeye Name: 3-bromo-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-benzoic acid CAS Name: 3-bromo-5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 3-bromo-5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 3-bromo-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]benzoic acid Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=CC(=CC(=C2)C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=CC(=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C16H13BrO4S/c1-21-13-4-2-10(3-5-13)15(18)9-22-14-7-11(16(19)20)6-12(17)8-14/h2-8H,9H2,1H3,(H,19,20)