trisodium; dodecan-1-ol; 2-oxidanylideneethanolate; sulfate

Systemtic Name: trisodium; dodecan-1-ol; 2-oxidanylideneethanolate; sulfate Openeye Name: trisodium; dodecan-1-ol; 2-oxoethanolate; sulfate CAS Name: trisodium; 1-dodecanol; 2-oxoethanolate; sulfate IUPAC Name: trisodium; dodecan-1-ol; 2-oxoethanolate; sulfate Traditional Name: trisodium; dodecan-1-ol; 2-ketoethanolate; sulfate Formula: C14H29Na3O7S MolecularWeight: 410.41017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCO.C(C=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCO.C(C=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H26O.C2H3O2.3Na.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2-4;;;;1-5(2,3)4/h13H,2-12H2,1H3;1H,2H2;;;;(H2,1,2,3,4)/q;-1;3*+1;/p-2