methyl 5-methyl-4-oxidanylidene-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate

Systemtic Name: methyl 5-methyl-4-oxidanylidene-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate Openeye Name: methyl 5-methyl-4-oxo-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate CAS Name: 5-mercapto-5-methyl-4-oxo-3-(2,4,6-trimethylphenyl)heptanoic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate Traditional Name: 4-keto-5-mercapto-3-mesityl-5-methyl-enanthic acid methyl ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(CC(=O)OC)C1=C(C=C(C=C1C)C)C)S

Isomeric SMILES

CCC(C)(C(=O)C(CC(=O)OC)C1=C(C=C(C=C1C)C)C)S

InChI

InChI=1S/C18H26O3S/c1-7-18(5,22)17(20)14(10-15(19)21-6)16-12(3)8-11(2)9-13(16)4/h8-9,14,22H,7,10H2,1-6H3