(E)-7-[(1S,2R)-2-(4-ethoxy-2-methyl-2-oxidanyl-butyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[(1S,2R)-2-(4-ethoxy-2-methyl-2-oxidanyl-butyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[(1S,2R)-2-(4-ethoxy-2-hydroxy-2-methyl-butyl)sulfanyl-3-hydroxy-5-oxo-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[(1S,2R)-2-[(4-ethoxy-2-hydroxy-2-methylbutyl)thio]-3-hydroxy-5-oxocyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[(1S,2R)-2-(4-ethoxy-2-hydroxy-2-methylbutyl)sulfanyl-3-hydroxy-5-oxocyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[(1S,2R)-2-[(4-ethoxy-2-hydroxy-2-methyl-butyl)thio]-3-hydroxy-5-keto-cyclopentyl]hept-2-enoic acid Formula: C19H32O6S MolecularWeight: 388.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(C)(CSC1C(CC(=O)C1CCCCC=CC(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H32O6S/c1-3-25-11-10-19(2,24)13-26-18-14(15(20)12-16(18)21)8-6-4-5-7-9-17(22)23/h7,9,14,16,18,21,24H,3-6,8,10-13H2,1-2H3,(H,22,23)/b9-7+/t14-,16?,18+,19?/m0/s1