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

Systemtic Name: 7-(7-methoxy-6-methyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoic acid Openeye Name: 7-(7-methoxy-6-methyl-7-oxo-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoic acid CAS Name: 7-[(7-methoxy-6-methyl-7-oxo-6-phenylheptyl)thio]-2-methyl-2-phenylheptanoic acid IUPAC Name: 7-(7-methoxy-6-methyl-7-oxo-6-phenylheptyl)sulfanyl-2-methyl-2-phenylheptanoic acid Traditional Name: 7-[(7-keto-7-methoxy-6-methyl-6-phenyl-heptyl)thio]-2-methyl-2-phenyl-enanthic acid Formula: C29H40O4S MolecularWeight: 484.6905

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4S/c1-28(26(30)31,24-16-8-4-9-17-24)20-12-6-14-22-34-23-15-7-13-21-29(2,27(32)33-3)25-18-10-5-11-19-25/h4-5,8-11,16-19H,6-7,12-15,20-23H2,1-3H3,(H,30,31)