5-azanyl-4-dodecoxy-4-octadecoxy-pentanoic acid; phosphoric acid

Systemtic Name: 5-azanyl-4-dodecoxy-4-octadecoxy-pentanoic acid; phosphoric acid Openeye Name: 5-amino-4-dodecoxy-4-octadecoxy-pentanoic acid; phosphoric acid CAS Name: 5-amino-4-dodecoxy-4-octadecoxypentanoic acid; phosphoric acid IUPAC Name: 5-amino-4-dodecoxy-4-octadecoxypentanoic acid; phosphoric acid Traditional Name: 5-amino-4-lauryloxy-4-stearyloxy-valeric acid; phosphoric acid Formula: C35H74NO8P MolecularWeight: 667.937721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CCC(=O)O)(CN)OCCCCCCCCCCCC.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CCC(=O)O)(CN)OCCCCCCCCCCCC.OP(=O)(O)O

InChI

InChI=1S/C35H71NO4.H3O4P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-32-40-35(33-36,30-29-34(37)38)39-31-27-25-23-21-14-12-10-8-6-4-2;1-5(2,3)4/h3-33,36H2,1-2H3,(H,37,38);(H3,1,2,3,4)