2-[4-(acetyloxymethyl)-2-methylsulfanyl-phenyl]benzoic acid

Systemtic Name: 2-[4-(acetyloxymethyl)-2-methylsulfanyl-phenyl]benzoic acid Openeye Name: 2-[4-(acetoxymethyl)-2-methylsulfanyl-phenyl]benzoic acid CAS Name: 2-[4-(acetyloxymethyl)-2-(methylthio)phenyl]benzoic acid IUPAC Name: 2-[4-(acetyloxymethyl)-2-methylsulfanylphenyl]benzoic acid Traditional Name: 2-[4-(acetoxymethyl)-2-(methylthio)phenyl]benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)SC

Isomeric SMILES

CC(=O)OCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)SC

InChI

InChI=1S/C17H16O4S/c1-11(18)21-10-12-7-8-14(16(9-12)22-2)13-5-3-4-6-15(13)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)