7-[(1S,2R)-2-[2-methyl-3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[(1S,2R)-2-[2-methyl-3-(4-methylphenoxy)-2-oxidanyl-propyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R)-3-hydroxy-2-[2-hydroxy-2-methyl-3-(4-methylphenoxy)propyl]sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2R)-3-hydroxy-2-[[2-hydroxy-2-methyl-3-(4-methylphenoxy)propyl]thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2R)-3-hydroxy-2-[2-hydroxy-2-methyl-3-(4-methylphenoxy)propyl]sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2R)-3-hydroxy-2-[[2-hydroxy-2-methyl-3-(4-methylphenoxy)propyl]thio]-5-keto-cyclopentyl]enanthic acid Formula: C23H34O6S MolecularWeight: 438.57746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C)(CSC2C(CC(=O)C2CCCCCCC(=O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(C)(CS[C@@H]2[C@H](C(=O)CC2O)CCCCCCC(=O)O)O

InChI

InChI=1S/C23H34O6S/c1-16-9-11-17(12-10-16)29-14-23(2,28)15-30-22-18(19(24)13-20(22)25)7-5-3-4-6-8-21(26)27/h9-12,18,20,22,25,28H,3-8,13-15H2,1-2H3,(H,26,27)/t18-,20?,22+,23?/m0/s1