4-methyl-7-(4-methyl-7-oxidanyl-7-oxidanylidene-4-phenyl-heptyl)sulfanyl-4-phenyl-heptanoic acid

Systemtic Name: 4-methyl-7-(4-methyl-7-oxidanyl-7-oxidanylidene-4-phenyl-heptyl)sulfanyl-4-phenyl-heptanoic acid Openeye Name: 7-(7-hydroxy-4-methyl-7-oxo-4-phenyl-heptyl)sulfanyl-4-methyl-4-phenyl-heptanoic acid CAS Name: 7-[(7-hydroxy-4-methyl-7-oxo-4-phenylheptyl)thio]-4-methyl-4-phenylheptanoic acid IUPAC Name: 7-(7-hydroxy-4-methyl-7-oxo-4-phenylheptyl)sulfanyl-4-methyl-4-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-4-methyl-4-phenyl-heptyl)thio]-4-methyl-4-phenyl-enanthic acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCSCCCC(C)(CCC(=O)O)C1=CC=CC=C1)(CCC(=O)O)C2=CC=CC=C2

InChI

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