[3,4-di(octanoyloxy)-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-2-yl] octanoate

Systemtic Name: [3,4-di(octanoyloxy)-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-2-yl] octanoate Openeye Name: [1-formyl-4,5-dihydroxy-2,3-di(octanoyloxy)pentyl] octanoate CAS Name: octanoic acid [5,6-dihydroxy-1-oxo-3,4-bis(1-oxooctoxy)hexan-2-yl] ester IUPAC Name: [5,6-dihydroxy-3,4-di(octanoyloxy)-1-oxohexan-2-yl] octanoate Traditional Name: caprylic acid (2,3-dicaprylyloxy-1-formyl-4,5-dihydroxy-pentyl) ester Formula: C30H54O9 MolecularWeight: 558.74436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C=O)C(C(C(CO)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(C=O)C(C(C(CO)O)OC(=O)CCCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C30H54O9/c1-4-7-10-13-16-19-26(34)37-25(23-32)30(39-28(36)21-18-15-12-9-6-3)29(24(33)22-31)38-27(35)20-17-14-11-8-5-2/h23-25,29-31,33H,4-22H2,1-3H3