sulfanyl 2-[2-(2,5-dimethylphenyl)phenyl]-4-methoxy-4-methyl-3-oxidanylidene-2-(phenylmethyl)heptanoate

Systemtic Name: sulfanyl 2-[2-(2,5-dimethylphenyl)phenyl]-4-methoxy-4-methyl-3-oxidanylidene-2-(phenylmethyl)heptanoate Openeye Name: sulfanyl 2-benzyl-2-[2-(2,5-dimethylphenyl)phenyl]-4-methoxy-4-methyl-3-oxo-heptanoate CAS Name: 2-[2-(2,5-dimethylphenyl)phenyl]-4-methoxy-4-methyl-3-oxo-2-(phenylmethyl)heptanoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-2-[2-(2,5-dimethylphenyl)phenyl]-4-methoxy-4-methyl-3-oxoheptanoate Traditional Name: 2-benzyl-2-[2-(2,5-dimethylphenyl)phenyl]-3-keto-4-methoxy-4-methyl-enanthic acid mercapto ester Formula: C30H34O4S MolecularWeight: 490.65356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2C3=C(C=CC(=C3)C)C)C(=O)OS)OC

Isomeric SMILES

CCCC(C)(C(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2C3=C(C=CC(=C3)C)C)C(=O)OS)OC

InChI

InChI=1S/C30H34O4S/c1-6-18-29(4,33-5)27(31)30(28(32)34-35,20-23-12-8-7-9-13-23)26-15-11-10-14-24(26)25-19-21(2)16-17-22(25)3/h7-17,19,35H,6,18,20H2,1-5H3