[3,4-bis[(E)-octadec-9-enoxy]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [3,4-bis[(E)-octadec-9-enoxy]-1-phosphono-butyl]phosphonic acid Openeye Name: [3,4-bis[(E)-octadec-9-enoxy]-1-phosphono-butyl]phosphonic acid CAS Name: [3,4-bis[(E)-octadec-9-enoxy]-1-phosphonobutyl]phosphonic acid IUPAC Name: [3,4-bis[(E)-octadec-9-enoxy]-1-phosphonobutyl]phosphonic acid Traditional Name: [3,4-bis[(E)-octadec-9-enoxy]-1-phosphono-butyl]phosphonic acid Formula: C40H80O8P2 MolecularWeight: 751.005922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(CC(P(=O)(O)O)P(=O)(O)O)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(CC(P(=O)(O)O)P(=O)(O)O)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C40H80O8P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-38-39(37-40(49(41,42)43)50(44,45)46)48-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40H,3-16,21-38H2,1-2H3,(H2,41,42,43)(H2,44,45,46)/b19-17+,20-18+