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

Systemtic Name: sodium; 3-azanyl-5-tetradecyl-henicosan-4-one; phosphoric acid Openeye Name: sodium; 3-amino-5-tetradecyl-henicosan-4-one; phosphoric acid CAS Name: sodium; 3-amino-5-tetradecyl-4-heneicosanone; phosphoric acid IUPAC Name: sodium; 3-amino-5-tetradecylhenicosan-4-one; phosphoric acid Traditional Name: sodium; 3-amino-5-myristyl-heneicosan-4-one; phosphoric acid Formula: C35H73NNaO5P MolecularWeight: 641.921351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H70NO.Na.H3O4P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-33(35(37)34(36)6-3)31-29-27-25-23-21-18-16-14-12-10-8-5-2;;1-5(2,3)4/h6,33-34H,4-5,7-32,36H2,1-3H3;;(H3,1,2,3,4)/q-1;+1;