7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-hydroxy-5-(2-hydroxy-3-methyl-3-phenyl-butyl)sulfanyl-cyclopentyl]heptanoic acid CAS Name: 7-[2-hydroxy-5-[(2-hydroxy-3-methyl-3-phenylbutyl)thio]cyclopentyl]heptanoic acid IUPAC Name: 7-[2-hydroxy-5-(2-hydroxy-3-methyl-3-phenylbutyl)sulfanylcyclopentyl]heptanoic acid Traditional Name: 7-[2-hydroxy-5-[(2-hydroxy-3-methyl-3-phenyl-butyl)thio]cyclopentyl]enanthic acid Formula: C23H36O4S MolecularWeight: 408.59454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O4S/c1-23(2,17-10-6-5-7-11-17)21(25)16-28-20-15-14-19(24)18(20)12-8-3-4-9-13-22(26)27/h5-7,10-11,18-21,24-25H,3-4,8-9,12-16H2,1-2H3,(H,26,27)