7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-6-phenyl-hexyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-6-phenyl-hexyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-6-phenyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-6-phenylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-6-phenylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-6-phenyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C27H42O4S MolecularWeight: 462.68498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CCCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C27H42O4S/c1-26(2,19-11-14-21-12-7-6-8-13-21)27(3,31)20-32-24-18-17-23(28)22(24)15-9-4-5-10-16-25(29)30/h6-8,12-13,22,24,31H,4-5,9-11,14-20H2,1-3H3,(H,29,30)