hydroxymethyl ethanoate; 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid

Systemtic Name: hydroxymethyl ethanoate; 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid Openeye Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid; hydroxymethyl acetate CAS Name: acetic acid hydroxymethyl ester; 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid; hydroxymethyl acetate Traditional Name: acetic acid methylol ester; 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C23H40O8 MolecularWeight: 444.5589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O.CC(=O)OCO

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O.CC(=O)OCO

InChI

InChI=1S/C20H34O5.C3H6O3/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25;1-3(5)6-2-4/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25);4H,2H2,1H3/b13-12+;/t15-,16+,17+,19+;/m0./s1