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

Systemtic Name: (E)-4,4-di(hexadecanoyl)-1-oxidanyl-henicos-12-en-2-olate Openeye Name: (E)-4,4-di(hexadecanoyl)-1-hydroxy-henicos-12-en-2-olate CAS Name: (E)-1-hydroxy-4,4-bis(1-oxohexadecyl)-12-heneicosen-2-olate IUPAC Name: (E)-4,4-di(hexadecanoyl)-1-hydroxyhenicos-12-en-2-olate Traditional Name: (E)-4,4-di(hexadecanoyl)-1-hydroxy-heneicos-12-en-2-olate Formula: C53H101O4- MolecularWeight: 802.36664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H101O4/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(48-50(55)49-54,51(56)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)52(57)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50,54H,4-24,27-49H2,1-3H3/q-1/b26-25+