2-butanoylsulfanyl-2-(2-chloranyl-4-phenyl-phenyl)ethanoic acid

Systemtic Name: 2-butanoylsulfanyl-2-(2-chloranyl-4-phenyl-phenyl)ethanoic acid Openeye Name: 2-butanoylsulfanyl-2-(2-chloro-4-phenyl-phenyl)acetic acid CAS Name: 2-(2-chloro-4-phenylphenyl)-2-(1-oxobutylthio)acetic acid IUPAC Name: 2-butanoylsulfanyl-2-(2-chloro-4-phenylphenyl)acetic acid Traditional Name: 2-(butyrylthio)-2-(2-chloro-4-phenyl-phenyl)acetic acid Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC(C1=C(C=C(C=C1)C2=CC=CC=C2)Cl)C(=O)O

Isomeric SMILES

CCCC(=O)SC(C1=C(C=C(C=C1)C2=CC=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C18H17ClO3S/c1-2-6-16(20)23-17(18(21)22)14-10-9-13(11-15(14)19)12-7-4-3-5-8-12/h3-5,7-11,17H,2,6H2,1H3,(H,21,22)