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

Systemtic Name: 7-[2-oxidanylidene-5-(2,3,3-trimethyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2,3,3-trimethyl-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2,3,3-trimethyl-5-phenyl-pentyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)C(C)(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C26H40O4S/c1-25(2,18-17-20-11-7-6-8-12-20)26(3,30)19-31-23-16-15-22(27)21(23)13-9-4-5-10-14-24(28)29/h6-8,11-12,21,23,30H,4-5,9-10,13-19H2,1-3H3,(H,28,29)