tricalcium [oxidanyl(phosphonato)methyl]-pentadecoxy-phosphinate

Systemtic Name: tricalcium [oxidanyl(phosphonato)methyl]-pentadecoxy-phosphinate Openeye Name: tricalcium [hydroxy(phosphonato)methyl]-pentadecoxy-phosphinate CAS Name: tricalcium [hydroxy(phosphonato)methyl]-pentadecoxyphosphinate IUPAC Name: tricalcium [hydroxy(phosphonato)methyl]-pentadecoxyphosphinate Traditional Name: tricalcium [hydroxy(phosphonato)methyl]-pentadecoxy-phosphinate Formula: C32H66Ca3O14P4 MolecularWeight: 918.987084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H36O7P2.3Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-25(21,22)16(17)24(18,19)20;;;/h2*16-17H,2-15H2,1H3,(H,21,22)(H2,18,19,20);;;/q;;3*+2/p-6