3-methyl-6-(4-methyl-6-oxidanyl-6-oxidanylidene-4-phenyl-hexyl)sulfanyl-3-phenyl-hexanoic acid

Systemtic Name: 3-methyl-6-(4-methyl-6-oxidanyl-6-oxidanylidene-4-phenyl-hexyl)sulfanyl-3-phenyl-hexanoic acid Openeye Name: 6-(6-hydroxy-4-methyl-6-oxo-4-phenyl-hexyl)sulfanyl-3-methyl-3-phenyl-hexanoic acid CAS Name: 6-[(6-hydroxy-4-methyl-6-oxo-4-phenylhexyl)thio]-3-methyl-3-phenylhexanoic acid IUPAC Name: 6-(6-hydroxy-4-methyl-6-oxo-4-phenylhexyl)sulfanyl-3-methyl-3-phenylhexanoic acid Traditional Name: 6-[(6-hydroxy-6-keto-4-methyl-4-phenyl-hexyl)thio]-3-methyl-3-phenyl-hexanoic acid Formula: C26H34O4S MolecularWeight: 442.61076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4S/c1-25(19-23(27)28,21-11-5-3-6-12-21)15-9-17-31-18-10-16-26(2,20-24(29)30)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3,(H,27,28)(H,29,30)