tricalcium [oxidanyl(phosphonato)methyl]-prop-1-en-2-yloxy-phosphinate

Systemtic Name: tricalcium [oxidanyl(phosphonato)methyl]-prop-1-en-2-yloxy-phosphinate Openeye Name: tricalcium [hydroxy(phosphonato)methyl]-isopropenyloxy-phosphinate CAS Name: tricalcium [hydroxy(phosphonato)methyl]-(1-methylethenoxy)phosphinate IUPAC Name: tricalcium [hydroxy(phosphonato)methyl]-prop-1-en-2-yloxyphosphinate Traditional Name: tricalcium [hydroxy(phosphonato)methyl]-isopropenyloxy-phosphinate Formula: C8H14Ca3O14P4 MolecularWeight: 578.317404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].CC(=C)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C4H10O7P2.3Ca/c2*1-3(2)11-13(9,10)4(5)12(6,7)8;;;/h2*4-5H,1H2,2H3,(H,9,10)(H2,6,7,8);;;/q;;3*+2/p-6