ethyl benzoate; phenyl-(4-sulfanylphenyl)methanone

Systemtic Name: ethyl benzoate; phenyl-(4-sulfanylphenyl)methanone Openeye Name: ethyl benzoate; phenyl-(4-sulfanylphenyl)methanone CAS Name: benzoic acid ethyl ester; (4-mercaptophenyl)-phenylmethanone IUPAC Name: ethyl benzoate; phenyl-(4-sulfanylphenyl)methanone Traditional Name: benzoic acid ethyl ester; (4-mercaptophenyl)-phenyl-methanone Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10OS.C9H10O2/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11;1-2-11-9(10)8-6-4-3-5-7-8/h1-9,15H;3-7H,2H2,1H3