S-(1-oxidanylidene-1-phenyl-pentan-2-yl) benzenecarbothioate

Systemtic Name: S-(1-oxidanylidene-1-phenyl-pentan-2-yl) benzenecarbothioate Openeye Name: S-(1-benzoylbutyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: S-(1-oxo-1-phenylpentan-2-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(1-benzoylbutyl) ester Formula: C18H18O2S MolecularWeight: 298.39932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O2S/c1-2-9-16(17(19)14-10-5-3-6-11-14)21-18(20)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3