[(5Z)-4-[2-(dimethylamino)-1-oxidanyl-ethyl]-5-nonylidene-heptadecyl]phosphonic acid

Systemtic Name: [(5Z)-4-[2-(dimethylamino)-1-oxidanyl-ethyl]-5-nonylidene-heptadecyl]phosphonic acid Openeye Name: [(5Z)-4-[2-(dimethylamino)-1-hydroxy-ethyl]-5-nonylidene-heptadecyl]phosphonic acid CAS Name: [(5Z)-4-[2-(dimethylamino)-1-hydroxyethyl]-5-nonylideneheptadecyl]phosphonic acid IUPAC Name: [(5Z)-4-[2-(dimethylamino)-1-hydroxyethyl]-5-nonylideneheptadecyl]phosphonic acid Traditional Name: [(Z)-4-[2-(dimethylamino)-1-hydroxy-ethyl]-5-lauryl-tetradec-5-enyl]phosphonic acid Formula: C30H62NO4P MolecularWeight: 531.791341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=CCCCCCCCC)C(CCCP(=O)(O)O)C(CN(C)C)O

Isomeric SMILES

CCCCCCCCCCCC/C(=C/CCCCCCCC)/C(CCCP(=O)(O)O)C(CN(C)C)O

InChI

InChI=1S/C30H62NO4P/c1-5-7-9-11-13-14-15-17-19-21-24-28(23-20-18-16-12-10-8-6-2)29(30(32)27-31(3)4)25-22-26-36(33,34)35/h23,29-30,32H,5-22,24-27H2,1-4H3,(H2,33,34,35)/b28-23-