3-methyl-7-(5-methyl-7-oxidanyl-7-oxidanylidene-5-phenyl-heptyl)sulfanyl-3-phenyl-heptanoic acid

Systemtic Name: 3-methyl-7-(5-methyl-7-oxidanyl-7-oxidanylidene-5-phenyl-heptyl)sulfanyl-3-phenyl-heptanoic acid Openeye Name: 7-(7-hydroxy-5-methyl-7-oxo-5-phenyl-heptyl)sulfanyl-3-methyl-3-phenyl-heptanoic acid CAS Name: 7-[(7-hydroxy-5-methyl-7-oxo-5-phenylheptyl)thio]-3-methyl-3-phenylheptanoic acid IUPAC Name: 7-(7-hydroxy-5-methyl-7-oxo-5-phenylheptyl)sulfanyl-3-methyl-3-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-5-methyl-5-phenyl-heptyl)thio]-3-methyl-3-phenyl-enanthic acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCSCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCSCCCCC(C)(CC(=O)O)C1=CC=CC=C1)(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C28H38O4S/c1-27(21-25(29)30,23-13-5-3-6-14-23)17-9-11-19-33-20-12-10-18-28(2,22-26(31)32)24-15-7-4-8-16-24/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,29,30)(H,31,32)