S-dodecyl 2-methyl-3-oxidanylidene-5-phenyl-pentanethioate

Systemtic Name: S-dodecyl 2-methyl-3-oxidanylidene-5-phenyl-pentanethioate Openeye Name: S-dodecyl 2-methyl-3-oxo-5-phenyl-pentanethioate CAS Name: 2-methyl-3-oxo-5-phenylpentanethioic acid S-dodecyl ester IUPAC Name: S-dodecyl 2-methyl-3-oxo-5-phenylpentanethioate Traditional Name: 3-keto-2-methyl-5-phenyl-pentanethioic acid S-lauryl ester Formula: C24H38O2S MolecularWeight: 390.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)C(C)C(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCSC(=O)C(C)C(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C24H38O2S/c1-3-4-5-6-7-8-9-10-11-15-20-27-24(26)21(2)23(25)19-18-22-16-13-12-14-17-22/h12-14,16-17,21H,3-11,15,18-20H2,1-2H3