[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphono-butyl]phosphonic acid

Systemtic Name: [3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphono-butyl]phosphonic acid Openeye Name: [3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphono-butyl]phosphonic acid CAS Name: [3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphonobutyl]phosphonic acid IUPAC Name: [3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphonobutyl]phosphonic acid Traditional Name: [3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]-1-phosphono-butyl]phosphonic acid Formula: C40H76O8P2 MolecularWeight: 746.974162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(CC(P(=O)(O)O)P(=O)(O)O)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C40H76O8P2/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/h11-14,17-20,39-40H,3-10,15-16,21-38H2,1-2H3,(H2,41,42,43)(H2,44,45,46)/b13-11+,14-12+,19-17+,20-18+