methyl 2-(4-bromanyl-2,6-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-hexanoate

Systemtic Name: methyl 2-(4-bromanyl-2,6-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-hexanoate Openeye Name: methyl 2-(4-bromo-2,6-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-hexanoate CAS Name: 2-(4-bromo-2,6-dimethylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxohexanoic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2,6-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxohexanoate Traditional Name: 2-(4-bromo-2,6-dimethyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)hexanoic acid methyl ester Formula: C24H29BrO4S MolecularWeight: 493.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(C1=C(C=C(C=C1C)Br)C)C(=O)OC)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C(=O)C(C1=C(C=C(C=C1C)Br)C)C(=O)OC)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H29BrO4S/c1-7-24(4,30-14-17-8-10-19(28-5)11-9-17)22(26)21(23(27)29-6)20-15(2)12-18(25)13-16(20)3/h8-13,21H,7,14H2,1-6H3