3-(chloromethyl)-4-[3-oxidanyl-4-(phenylcarbonyl)phenyl]-2-sulfanyl-butanoate

Systemtic Name: 3-(chloromethyl)-4-[3-oxidanyl-4-(phenylcarbonyl)phenyl]-2-sulfanyl-butanoate Openeye Name: 3-[(4-benzoyl-3-hydroxy-phenyl)methyl]-4-chloro-2-sulfanyl-butanoate CAS Name: 3-[(4-benzoyl-3-hydroxyphenyl)methyl]-4-chloro-2-mercaptobutanoate IUPAC Name: 3-[(4-benzoyl-3-hydroxyphenyl)methyl]-4-chloro-2-sulfanylbutanoate Traditional Name: 3-(4-benzoyl-3-hydroxy-benzyl)-4-chloro-2-mercapto-butyrate Formula: C18H16ClO4S- MolecularWeight: 363.83524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)CC(CCl)C(C(=O)[O-])S)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)CC(CCl)C(C(=O)[O-])S)O

InChI

InChI=1S/C18H17ClO4S/c19-10-13(17(24)18(22)23)8-11-6-7-14(15(20)9-11)16(21)12-4-2-1-3-5-12/h1-7,9,13,17,20,24H,8,10H2,(H,22,23)/p-1