O-(4-oxidanylidene-4-phenyl-butyl) methanethioate

Systemtic Name: O-(4-oxidanylidene-4-phenyl-butyl) methanethioate Openeye Name: O-(4-oxo-4-phenyl-butyl) methanethioate CAS Name: methanethioic acid O-(4-oxo-4-phenylbutyl) ester IUPAC Name: O-(4-oxo-4-phenylbutyl) methanethioate Traditional Name: methanethioic acid O-(4-keto-4-phenyl-butyl) ester Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCOC=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCOC=S

InChI

InChI=1S/C11H12O2S/c12-11(7-4-8-13-9-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2