(E)-3,3-di(hexadecanoyl)-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-olate

Systemtic Name: (E)-3,3-di(hexadecanoyl)-1-oxidanyl-4-oxidanylidene-henicos-12-en-2-olate Openeye Name: (E)-3,3-di(hexadecanoyl)-1-hydroxy-4-oxo-henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-4-oxo-3,3-bis(1-oxohexadecyl)-12-heneicosen-2-olate IUPAC Name: (E)-3,3-di(hexadecanoyl)-1-hydroxy-4-oxohenicos-12-en-2-olate Traditional Name: (E)-3,3-di(hexadecanoyl)-1-hydroxy-4-keto-heneicos-12-en-2-olate Formula: C53H99O5- MolecularWeight: 816.35016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(CO)[O-])(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(CO)[O-])(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C53H99O5/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-51(57)53(52(58)48-54,49(55)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)50(56)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,52,54H,4-24,27-48H2,1-3H3/q-1/b26-25+