methyl 7-(7-methoxy-6-methyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoate

Systemtic Name: methyl 7-(7-methoxy-6-methyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoate Openeye Name: methyl 7-(7-methoxy-6-methyl-7-oxo-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoate CAS Name: 7-[(7-methoxy-6-methyl-7-oxo-6-phenylheptyl)thio]-2-methyl-2-phenylheptanoic acid methyl ester IUPAC Name: methyl 7-(7-methoxy-6-methyl-7-oxo-6-phenylheptyl)sulfanyl-2-methyl-2-phenylheptanoate Traditional Name: 7-[(7-keto-7-methoxy-6-methyl-6-phenyl-heptyl)thio]-2-methyl-2-phenyl-enanthic acid methyl ester Formula: C30H42O4S MolecularWeight: 498.71708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCSCCCCCC(C)(C1=CC=CC=C1)C(=O)OC)(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(CCCCCSCCCCCC(C)(C1=CC=CC=C1)C(=O)OC)(C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C30H42O4S/c1-29(27(31)33-3,25-17-9-5-10-18-25)21-13-7-15-23-35-24-16-8-14-22-30(2,28(32)34-4)26-19-11-6-12-20-26/h5-6,9-12,17-20H,7-8,13-16,21-24H2,1-4H3