4-[(E)-octadec-9-enoyl]oxypentane-1,2,3,5-tetracarboxylic acid

Systemtic Name: 4-[(E)-octadec-9-enoyl]oxypentane-1,2,3,5-tetracarboxylic acid Openeye Name: 4-[(E)-octadec-9-enoyl]oxypentane-1,2,3,5-tetracarboxylic acid CAS Name: 4-[(E)-1-oxooctadec-9-enoxy]pentane-1,2,3,5-tetracarboxylic acid IUPAC Name: 4-[(E)-octadec-9-enoyl]oxypentane-1,2,3,5-tetracarboxylic acid Traditional Name: 4-[(E)-octadec-9-enoyl]oxypentane-1,2,3,5-tetracarboxylic acid Formula: C27H44O10 MolecularWeight: 528.63226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)O)C(C(CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(CC(=O)O)C(C(CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H44O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(32)37-21(19-23(30)31)25(27(35)36)20(26(33)34)18-22(28)29/h9-10,20-21,25H,2-8,11-19H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36)/b10-9+