1-oxidanyl-6-oxidanylidene-4-(2-oxidanylidenetricosyl)-5-[(E)-pentadec-6-enyl]heptacosan-2-olate

Systemtic Name: 1-oxidanyl-6-oxidanylidene-4-(2-oxidanylidenetricosyl)-5-[(E)-pentadec-6-enyl]heptacosan-2-olate Openeye Name: 1-hydroxy-6-oxo-4-(2-oxotricosyl)-5-[(E)-pentadec-6-enyl]heptacosan-2-olate CAS Name: 1-hydroxy-6-oxo-4-(2-oxotricosyl)-5-[(E)-pentadec-6-enyl]-2-heptacosanolate IUPAC Name: 1-hydroxy-6-oxo-4-(2-oxotricosyl)-5-[(E)-pentadec-6-enyl]heptacosan-2-olate Traditional Name: (E)-5-docosanoyl-1-hydroxy-4-(2-ketotricosyl)eicos-11-en-2-olate Formula: C65H125O4- MolecularWeight: 970.6856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(CC(CO)[O-])C(CCCCCC=CCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(CC(CO)[O-])C(CCCCC/C=C/CCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C65H125O4/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-62(67)58-61(59-63(68)60-66)64(56-53-50-47-44-41-37-24-21-18-15-12-9-6-3)65(69)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h37,41,61,63-64,66H,4-36,38-40,42-60H2,1-3H3/q-1/b41-37+