sodium; 3-azanyl-2-methyl-5-tetradecyl-henicosan-4-one; phosphoric acid

Systemtic Name: sodium; 3-azanyl-2-methyl-5-tetradecyl-henicosan-4-one; phosphoric acid Openeye Name: sodium; 3-amino-2-methyl-5-tetradecyl-henicosan-4-one; phosphoric acid CAS Name: sodium; 3-amino-2-methyl-5-tetradecyl-4-heneicosanone; phosphoric acid IUPAC Name: sodium; 3-amino-2-methyl-5-tetradecylhenicosan-4-one; phosphoric acid Traditional Name: sodium; 3-amino-2-methyl-5-myristyl-heneicosan-4-one; phosphoric acid Formula: C36H75NNaO5P MolecularWeight: 655.947931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)C([C-](C)C)N.OP(=O)(O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)C([C-](C)C)N.OP(=O)(O)O.[Na+]

InChI

InChI=1S/C36H72NO.Na.H3O4P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(36(38)35(37)33(3)4)31-29-27-25-23-21-18-16-14-12-10-8-6-2;;1-5(2,3)4/h34-35H,5-32,37H2,1-4H3;;(H3,1,2,3,4)/q-1;+1;