3-ethoxycarbonyl-3-(7-ethoxy-7-oxidanylidene-heptyl)-5-(hydroxymethyl)-2-oxidanylidene-4-[(E)-3-oxidanyloct-1-enyl]cyclopentane-1-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-3-(7-ethoxy-7-oxidanylidene-heptyl)-5-(hydroxymethyl)-2-oxidanylidene-4-[(E)-3-oxidanyloct-1-enyl]cyclopentane-1-carboxylic acid Openeye Name: 3-ethoxycarbonyl-3-(7-ethoxy-7-oxo-heptyl)-5-(hydroxymethyl)-4-[(E)-3-hydroxyoct-1-enyl]-2-oxo-cyclopentanecarboxylic acid CAS Name: 3-ethoxycarbonyl-3-(7-ethoxy-7-oxoheptyl)-5-(hydroxymethyl)-4-[(E)-3-hydroxyoct-1-enyl]-2-oxo-1-cyclopentanecarboxylic acid IUPAC Name: 3-ethoxycarbonyl-3-(7-ethoxy-7-oxoheptyl)-5-(hydroxymethyl)-4-[(E)-3-hydroxyoct-1-enyl]-2-oxocyclopentane-1-carboxylic acid Traditional Name: 3-carbethoxy-3-(7-ethoxy-7-keto-heptyl)-4-[(E)-3-hydroxyoct-1-enyl]-2-keto-5-methylol-cyclopentanecarboxylic acid Formula: C27H44O9 MolecularWeight: 512.63286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(C(C(=O)C1(CCCCCCC(=O)OCC)C(=O)OCC)C(=O)O)CO)O

Isomeric SMILES

CCCCCC(/C=C/C1C(C(C(=O)C1(CCCCCCC(=O)OCC)C(=O)OCC)C(=O)O)CO)O

InChI

InChI=1S/C27H44O9/c1-4-7-10-13-19(29)15-16-21-20(18-28)23(25(32)33)24(31)27(21,26(34)36-6-3)17-12-9-8-11-14-22(30)35-5-2/h15-16,19-21,23,28-29H,4-14,17-18H2,1-3H3,(H,32,33)/b16-15+