trisodium (5E)-6,10-dimethyl-1-phosphonato-undeca-5,9-diene-1-sulfonate

Systemtic Name: trisodium (5E)-6,10-dimethyl-1-phosphonato-undeca-5,9-diene-1-sulfonate Openeye Name: trisodium (5E)-6,10-dimethyl-1-phosphonato-undeca-5,9-diene-1-sulfonate CAS Name: trisodium (5E)-6,10-dimethyl-1-phosphonato-1-undeca-5,9-dienesulfonate IUPAC Name: trisodium (5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-diene-1-sulfonate Traditional Name: trisodium (5E)-6,10-dimethyl-1-phosphonato-undeca-5,9-diene-1-sulfonate Formula: C13H22Na3O6PS MolecularWeight: 406.318251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=CCC/C(=C/CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])/C)C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H25O6PS.3Na/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19;;;/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H,17,18,19);;;/q;3*+1/p-3/b12-8+;;;