tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-triene-1-sulfonate

Systemtic Name: tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-triene-1-sulfonate Openeye Name: tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-triene-1-sulfonate CAS Name: tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonato-1-pentadeca-5,9,13-trienesulfonate IUPAC Name: tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate Traditional Name: tripotassium (5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-triene-1-sulfonate Formula: C18H30K3O6PS MolecularWeight: 522.760861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33O6PS.3K/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24;;;/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24);;;/q;3*+1/p-3/b16-10+,17-13+;;;