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

Systemtic Name: 7-[(1S,2R)-2-(4-ethoxy-2-methyl-2-oxidanyl-butyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[(1S,2R)-2-(4-ethoxy-2-hydroxy-2-methyl-butyl)sulfanyl-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(1S,2R)-2-[(4-ethoxy-2-hydroxy-2-methylbutyl)thio]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1S,2R)-2-(4-ethoxy-2-hydroxy-2-methylbutyl)sulfanyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(1S,2R)-2-[(4-ethoxy-2-hydroxy-2-methyl-butyl)thio]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C19H34O6S MolecularWeight: 390.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H34O6S/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/h14,16,18,21,24H,3-13H2,1-2H3,(H,22,23)/t14-,16?,18+,19?/m0/s1