pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonato-trideca-3,7,11-trienyl]phosphinate

Systemtic Name: pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonato-trideca-3,7,11-trienyl]phosphinate Openeye Name: pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonato-trideca-3,7,11-trienyl]phosphinate CAS Name: pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]phosphinate IUPAC Name: pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trienyl]phosphinate Traditional Name: pentapotassium phosphonatomethyl-[(3E,7E)-4,8,12-trimethyl-1-phosphonato-trideca-3,7,11-trienyl]phosphinate Formula: C17H28K5O8P3 MolecularWeight: 648.812203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33O8P3.5K/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(28(23,24)25)26(18,19)13-27(20,21)22;;;;;/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)(H2,23,24,25);;;;;/q;5*+1/p-5/b15-9+,16-11+;;;;;