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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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