5-methyl-2-phenacylsulfanyl-benzoic acid

Systemtic Name: 5-methyl-2-phenacylsulfanyl-benzoic acid Openeye Name: 5-methyl-2-phenacylsulfanyl-benzoic acid CAS Name: 5-methyl-2-(phenacylthio)benzoic acid IUPAC Name: 5-methyl-2-phenacylsulfanylbenzoic acid Traditional Name: 5-methyl-2-(phenacylthio)benzoic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H14O3S/c1-11-7-8-15(13(9-11)16(18)19)20-10-14(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)