2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-chloranyl-benzoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-chloranyl-benzoic acid Openeye Name: 2-[2-(acetoxymethyl)phenyl]sulfanyl-5-chloro-benzoic acid CAS Name: 2-[[2-(acetyloxymethyl)phenyl]thio]-5-chlorobenzoic acid IUPAC Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-chlorobenzoic acid Traditional Name: 2-[[2-(acetoxymethyl)phenyl]thio]-5-chloro-benzoic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=C1SC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=CC=C1SC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO4S/c1-10(18)21-9-11-4-2-3-5-14(11)22-15-7-6-12(17)8-13(15)16(19)20/h2-8H,9H2,1H3,(H,19,20)