S-[4,4-dimethyl-5-oxidanylidene-3-(4-phenylphenyl)carbonyl-hexyl] ethanethioate

Systemtic Name: S-[4,4-dimethyl-5-oxidanylidene-3-(4-phenylphenyl)carbonyl-hexyl] ethanethioate Openeye Name: S-[4,4-dimethyl-5-oxo-3-(4-phenylbenzoyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[4,4-dimethyl-5-oxo-3-[oxo-(4-phenylphenyl)methyl]hexyl] ester IUPAC Name: S-[4,4-dimethyl-5-oxo-3-(4-phenylbenzoyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-4,4-dimethyl-3-(4-phenylbenzoyl)hexyl] ester Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C(CCSC(=O)C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C)(C)C(CCSC(=O)C)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H26O3S/c1-16(24)23(3,4)21(14-15-27-17(2)25)22(26)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,21H,14-15H2,1-4H3