(E)-2,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2,3-tricarboxylate

Systemtic Name: (E)-2,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2,3-tricarboxylate Openeye Name: (E)-2,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2,3-tricarboxylate CAS Name: (E)-2,3-bis[(E)-octadec-9-enyl]-12-heneicosene-1,2,3-tricarboxylate IUPAC Name: (E)-2,3-bis[(E)-octadec-9-enyl]henicos-12-ene-1,2,3-tricarboxylate Traditional Name: (E)-2,3-bis[(E)-octadec-9-enyl]heneicos-12-ene-1,2,3-tricarboxylate Formula: C60H107O6-3 MolecularWeight: 924.48798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)(C(=O)[O-])C(CCCCCCCCC=CCCCCCCCC)(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(C(=O)[O-])(CC(=O)[O-])CCCCCCCC/C=C/CCCCCCCC)(C(=O)[O-])CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-59(57(63)64,53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(58(65)66,55-56(61)62)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-55H2,1-3H3,(H,61,62)(H,63,64)(H,65,66)/p-3/b28-25+,29-26+,30-27+