2-[bis[(E)-octadec-9-enyl]amino]pentanedioic acid

Systemtic Name: 2-[bis[(E)-octadec-9-enyl]amino]pentanedioic acid Openeye Name: 2-[bis[(E)-octadec-9-enyl]amino]pentanedioic acid CAS Name: 2-[bis[(E)-octadec-9-enyl]amino]pentanedioic acid IUPAC Name: 2-[bis[(E)-octadec-9-enyl]amino]pentanedioic acid Traditional Name: 2-[bis[(E)-octadec-9-enyl]amino]glutaric acid Formula: C41H77NO4 MolecularWeight: 648.05438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(C(=O)O)CCC(=O)O)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-42(39(41(45)46)35-36-40(43)44)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,43,44)(H,45,46)/b19-17+,20-18+