2-(3-carboxyphenyl)-6-(2-ethanoylsulfanylethyl)benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-6-(2-ethanoylsulfanylethyl)benzoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-6-(3-carboxyphenyl)benzoic acid CAS Name: 2-[2-(acetylthio)ethyl]-6-(3-carboxyphenyl)benzoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-6-(3-carboxyphenyl)benzoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-6-(3-carboxyphenyl)benzoic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=CC=CC(=C1C(=O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC1=CC=CC(=C1C(=O)O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C18H16O5S/c1-11(19)24-9-8-12-4-3-7-15(16(12)18(22)23)13-5-2-6-14(10-13)17(20)21/h2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)