bis[(E)-2,2-di(hexadecanoyl)octadec-9-enoyl] 2-oxidanylbutanedioate

Systemtic Name: bis[(E)-2,2-di(hexadecanoyl)octadec-9-enoyl] 2-oxidanylbutanedioate Openeye Name: bis[(E)-2,2-di(hexadecanoyl)octadec-9-enoyl] 2-hydroxybutanedioate CAS Name: 2-hydroxybutanedioic acid bis[(E)-1-oxo-2,2-bis(1-oxohexadecyl)octadec-9-enyl] ester IUPAC Name: bis[(E)-2,2-di(hexadecanoyl)octadec-9-enoyl] 2-hydroxybutanedioate Traditional Name: 2-hydroxysuccinic acid bis[(E)-2,2-di(hexadecanoyl)octadec-9-enoyl] ester Formula: C104H190O11 MolecularWeight: 1616.6148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCCCCCC=CCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)OC(=O)CC(C(=O)OC(=O)C(CCCCCCC=CCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCCCCC/C=C/CCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)OC(=O)CC(C(=O)OC(=O)C(CCCCCC/C=C/CCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C104H190O11/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-103(95(106)87-81-75-69-63-57-51-45-39-33-27-21-15-9-3,96(107)88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)101(112)114-99(110)93-94(105)100(111)115-102(113)104(92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2,97(108)89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)98(109)90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h49-50,55-56,94,105H,7-48,51-54,57-93H2,1-6H3/b55-49+,56-50+