2,2-bis[(E)-octadec-9-enoyl]hexanedioic acid

Systemtic Name: 2,2-bis[(E)-octadec-9-enoyl]hexanedioic acid Openeye Name: 2,2-bis[(E)-octadec-9-enoyl]hexanedioic acid CAS Name: 2,2-bis[(E)-1-oxooctadec-9-enyl]hexanedioic acid IUPAC Name: 2,2-bis[(E)-octadec-9-enoyl]hexanedioic acid Traditional Name: 2,2-bis[(E)-octadec-9-enoyl]adipic acid Formula: C42H74O6 MolecularWeight: 675.03336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CCCC(=O)O)(C(=O)CCCCCCCC=CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(=O)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)CCCC(=O)O

InChI

InChI=1S/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(43)42(41(47)48,37-33-36-40(45)46)39(44)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3,(H,45,46)(H,47,48)/b19-17+,20-18+