7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-4-phenyl-butyl)sulfanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-4-phenyl-butyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-4-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-4-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-4-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-4-phenyl-butyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C25H38O4S/c1-24(2,17-19-11-7-6-8-12-19)25(3,29)18-30-22-16-15-21(26)20(22)13-9-4-5-10-14-23(27)28/h6-8,11-12,20,22,29H,4-5,9-10,13-18H2,1-3H3,(H,27,28)