sodium; (E)-3-azanyl-2-methyl-5-tetradecyl-tricos-14-en-4-one; sulfuric acid

Systemtic Name: sodium; (E)-3-azanyl-2-methyl-5-tetradecyl-tricos-14-en-4-one; sulfuric acid Openeye Name: sodium; (E)-3-amino-2-methyl-5-tetradecyl-tricos-14-en-4-one; sulfuric acid CAS Name: sodium; (E)-3-amino-2-methyl-5-tetradecyl-14-tricosen-4-one; sulfuric acid IUPAC Name: sodium; (E)-3-amino-2-methyl-5-tetradecyltricos-14-en-4-one; sulfuric acid Traditional Name: sodium; (E)-3-amino-2-methyl-5-myristyl-tricos-14-en-4-one; sulfuric acid Formula: C38H76NNaO5S MolecularWeight: 682.06851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)C(=O)C([C-](C)C)N.OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC)C(=O)C([C-](C)C)N.OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C38H74NO.Na.H2O4S/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(38(40)37(39)35(3)4)33-31-29-27-25-23-18-16-14-12-10-8-6-2;;1-5(2,3)4/h19-20,36-37H,5-18,21-34,39H2,1-4H3;;(H2,1,2,3,4)/q-1;+1;/b20-19+;;