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

Systemtic Name: 7-[(1S,2R)-2-(2-methyl-2-oxidanyl-3-phenoxy-propyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-2-methyl-3-phenoxy-propyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-2-methyl-3-phenoxypropyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-2-methyl-3-phenoxypropyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-2-methyl-3-phenoxy-propyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H32O6S MolecularWeight: 424.55088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)(CSC2C(CC(=O)C2CCCCCCC(=O)O)O)O

Isomeric SMILES

CC(COC1=CC=CC=C1)(CS[C@@H]2[C@H](C(=O)CC2O)CCCCCCC(=O)O)O

InChI

InChI=1S/C22H32O6S/c1-22(27,14-28-16-9-5-4-6-10-16)15-29-21-17(18(23)13-19(21)24)11-7-2-3-8-12-20(25)26/h4-6,9-10,17,19,21,24,27H,2-3,7-8,11-15H2,1H3,(H,25,26)/t17-,19?,21+,22?/m0/s1