calcium bis(oxidanidyl)-oxidanylidene-[(Z)-1-phosphonatooctadec-9-enyl]-$l^{5}-phosphane

Systemtic Name: calcium bis(oxidanidyl)-oxidanylidene-[(Z)-1-phosphonatooctadec-9-enyl]-$l^{5}-phosphane Openeye Name: calcium dioxido-oxo-[(Z)-1-phosphonatooctadec-9-enyl]-$l^{5}-phosphane CAS Name: calcium dioxido-oxo-[(Z)-1-phosphonatooctadec-9-enyl]phosphorane IUPAC Name: calcium dioxido-oxo-[(Z)-1-phosphonatooctadec-9-enyl]-$l^{5}-phosphane Traditional Name: calcium keto-dioxido-[(Z)-1-phosphonatooctadec-9-enyl]phosphorane Formula: C36H68CaO12P4-6 MolecularWeight: 856.890964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCCC=CCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/2C18H38O6P2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(25(19,20)21)26(22,23)24;/h2*9-10,18H,2-8,11-17H2,1H3,(H2,19,20,21)(H2,22,23,24);/q;;+2/p-8/b2*10-9-;