ethanol; ethyl 2-(4-sulfanylphenyl)carbonylbenzoate

Systemtic Name: ethanol; ethyl 2-(4-sulfanylphenyl)carbonylbenzoate Openeye Name: ethanol; ethyl 2-(4-sulfanylbenzoyl)benzoate CAS Name: ethanol; 2-[(4-mercaptophenyl)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethanol; ethyl 2-(4-sulfanylbenzoyl)benzoate Traditional Name: ethanol; 2-(4-mercaptobenzoyl)benzoic acid ethyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)S

Isomeric SMILES

CCO.CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)S

InChI

InChI=1S/C16H14O3S.C2H6O/c1-2-19-16(18)14-6-4-3-5-13(14)15(17)11-7-9-12(20)10-8-11;1-2-3/h3-10,20H,2H2,1H3;3H,2H2,1H3