2-[4-(4-chlorophenyl)phenyl]-2-methoxycarbonylsulfanyl-ethanoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]-2-methoxycarbonylsulfanyl-ethanoic acid Openeye Name: 2-[4-(4-chlorophenyl)phenyl]-2-methoxycarbonylsulfanyl-acetic acid CAS Name: 2-[4-(4-chlorophenyl)phenyl]-2-(methoxycarbonylthio)acetic acid IUPAC Name: 2-[4-(4-chlorophenyl)phenyl]-2-methoxycarbonylsulfanylacetic acid Traditional Name: 2-(carbomethoxythio)-2-[4-(4-chlorophenyl)phenyl]acetic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClO4S/c1-21-16(20)22-14(15(18)19)12-4-2-10(3-5-12)11-6-8-13(17)9-7-11/h2-9,14H,1H3,(H,18,19)