[2-[[4-(3-hexadecoxypropoxy)-4-oxidanylidene-butanoyl]amino]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[[4-(3-hexadecoxypropoxy)-4-oxidanylidene-butanoyl]amino]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[[4-(3-hexadecoxypropoxy)-4-oxo-butanoyl]amino]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[[4-(3-hexadecoxypropoxy)-1,4-dioxobutyl]amino]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[[4-(3-hexadecoxypropoxy)-4-oxobutanoyl]amino]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[[4-(3-cetyloxypropoxy)-4-keto-butanoyl]amino]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C25H51NO11P2 MolecularWeight: 603.620062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOC(=O)CCC(=O)NCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOC(=O)CCC(=O)NCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C25H51NO11P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-36-20-16-21-37-24(28)18-17-23(27)26-22-25(29,38(30,31)32)39(33,34)35/h29H,2-22H2,1H3,(H,26,27)(H2,30,31,32)(H2,33,34,35)