methyl 4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-2-(2,4,5-trimethylphenyl)hexanoate

Systemtic Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-2-(2,4,5-trimethylphenyl)hexanoate Openeye Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-2-(2,4,5-trimethylphenyl)hexanoate CAS Name: 4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxo-2-(2,4,5-trimethylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-2-(2,4,5-trimethylphenyl)hexanoate Traditional Name: 3-keto-4-methyl-4-(p-anisylthio)-2-(2,4,5-trimethylphenyl)hexanoic acid methyl ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(C1=C(C=C(C(=C1)C)C)C)C(=O)OC)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C(=O)C(C1=C(C=C(C(=C1)C)C)C)C(=O)OC)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C25H32O4S/c1-8-25(5,30-15-19-9-11-20(28-6)12-10-19)23(26)22(24(27)29-7)21-14-17(3)16(2)13-18(21)4/h9-14,22H,8,15H2,1-7H3