3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-6-oxidanylidene-hexanoyl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-6-oxidanylidene-hexanoyl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-hydroxy-4-oxo-butanoyl]oxy-6-oxo-hexanoyl]oxy-4-oxo-butanoic acid CAS Name: 3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-hydroxy-1,4-dioxobutoxy]-1,6-dioxohexoxy]-4-oxobutanoic acid IUPAC Name: 3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-hydroxy-4-oxobutanoyl]oxy-6-oxohexanoyl]oxy-4-oxobutanoic acid Traditional Name: 3-[bis[(E)-octadec-9-enyl]amino]-4-[6-[2-[bis[(E)-octadec-9-enyl]amino]-4-hydroxy-4-keto-butanoyl]oxy-6-keto-hexanoyl]oxy-4-keto-butyric acid Formula: C86H156N2O10 MolecularWeight: 1378.16624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C(CC(=O)O)C(=O)OC(=O)CCCCC(=O)OC(=O)C(CC(=O)O)N(CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(C(=O)OC(=O)CCCCC(=O)OC(=O)C(N(CCCCCCCC/C=C/CCCCCCCC)CCCCCCCC/C=C/CCCCCCCC)CC(=O)O)CC(=O)O)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C86H156N2O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-67-73-87(74-68-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)79(77-81(89)90)85(95)97-83(93)71-65-66-72-84(94)98-86(96)80(78-82(91)92)88(75-69-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-70-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40,79-80H,5-32,41-78H2,1-4H3,(H,89,90)(H,91,92)/b37-33+,38-34+,39-35+,40-36+