disodium; dodecan-1-amine; pentanoic acid; sulfate

Systemtic Name: disodium; dodecan-1-amine; pentanoic acid; sulfate Openeye Name: disodium; dodecan-1-amine; pentanoic acid; sulfate CAS Name: disodium; 1-dodecanamine; pentanoic acid; sulfate IUPAC Name: disodium; dodecan-1-amine; pentanoic acid; sulfate Traditional Name: disodium; laurylamine; valeric acid; sulfate Formula: C17H37NNa2O6S MolecularWeight: 429.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN.CCCCC(=O)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCN.CCCCC(=O)O.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H27N.C5H10O2.2Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5(6)7;;;1-5(2,3)4/h2-13H2,1H3;2-4H2,1H3,(H,6,7);;;(H2,1,2,3,4)/q;;2*+1;/p-2