(E)-7-[(1S,2R)-2-(5-methoxy-2-methyl-2-oxidanyl-pentyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[(1S,2R)-2-(5-methoxy-2-methyl-2-oxidanyl-pentyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-5-methoxy-2-methyl-pentyl)sulfanyl-5-oxo-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-5-methoxy-2-methylpentyl)thio]-5-oxocyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[(1S,2R)-3-hydroxy-2-(2-hydroxy-5-methoxy-2-methylpentyl)sulfanyl-5-oxocyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[(1S,2R)-3-hydroxy-2-[(2-hydroxy-5-methoxy-2-methyl-pentyl)thio]-5-keto-cyclopentyl]hept-2-enoic acid Formula: C19H32O6S MolecularWeight: 388.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC)(CSC1C(CC(=O)C1CCCCC=CC(=O)O)O)O

Isomeric SMILES

CC(CCCOC)(CS[C@@H]1[C@H](C(=O)CC1O)CCCC/C=C/C(=O)O)O

InChI

InChI=1S/C19H32O6S/c1-19(24,10-7-11-25-2)13-26-18-14(15(20)12-16(18)21)8-5-3-4-6-9-17(22)23/h6,9,14,16,18,21,24H,3-5,7-8,10-13H2,1-2H3,(H,22,23)/b9-6+/t14-,16?,18+,19?/m0/s1