1-phenylsulfanylethyl 4-methanoylbenzoate

Systemtic Name: 1-phenylsulfanylethyl 4-methanoylbenzoate Openeye Name: 1-phenylsulfanylethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 1-(phenylthio)ethyl ester IUPAC Name: 1-phenylsulfanylethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 1-(phenylthio)ethyl ester Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=CC=C(C=C1)C=O)SC2=CC=CC=C2

Isomeric SMILES

CC(OC(=O)C1=CC=C(C=C1)C=O)SC2=CC=CC=C2

InChI

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