methane; (4-sulfanylphenyl) 2-phenylbutanoate

Systemtic Name: methane; (4-sulfanylphenyl) 2-phenylbutanoate Openeye Name: methane; (4-sulfanylphenyl) 2-phenylbutanoate CAS Name: methane; 2-phenylbutanoic acid (4-mercaptophenyl) ester IUPAC Name: methane; (4-sulfanylphenyl) 2-phenylbutanoate Traditional Name: methane; 2-phenylbutyric acid (4-mercaptophenyl) ester Formula: C17H20O2S MolecularWeight: 288.4045

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Descriptors Computed from Structure

Canonical SMILES:

C.CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S

Isomeric SMILES

C.CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)S

InChI

InChI=1S/C16H16O2S.CH4/c1-2-15(12-6-4-3-5-7-12)16(17)18-13-8-10-14(19)11-9-13;/h3-11,15,19H,2H2,1H3;1H4