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

Systemtic Name: 2-methyl-7-(6-methyl-7-oxidanyl-7-oxidanylidene-6-phenyl-heptyl)sulfanyl-2-phenyl-heptanoic acid Openeye Name: 7-(7-hydroxy-6-methyl-7-oxo-6-phenyl-heptyl)sulfanyl-2-methyl-2-phenyl-heptanoic acid CAS Name: 7-[(7-hydroxy-6-methyl-7-oxo-6-phenylheptyl)thio]-2-methyl-2-phenylheptanoic acid IUPAC Name: 7-(7-hydroxy-6-methyl-7-oxo-6-phenylheptyl)sulfanyl-2-methyl-2-phenylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-6-methyl-6-phenyl-heptyl)thio]-2-methyl-2-phenyl-enanthic acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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