2-phosphonatobutanoate; platinum(4+); propane-1,2-diamine

Systemtic Name: 2-phosphonatobutanoate; platinum(4+); propane-1,2-diamine Openeye Name: 2-phosphonatobutanoate; platinum(4+); propane-1,2-diamine CAS Name: 2-phosphonatobutanoate; platinum(4+); propane-1,2-diamine IUPAC Name: 2-phosphonatobutanoate; platinum(4+); propane-1,2-diamine Traditional Name: (2-amino-1-methyl-ethyl)amine; 2-phosphonatobutyrate; platinum(4+) Formula: C25H54N6O20P4Pt3 MolecularWeight: 1467.853504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CC(CN)N.CC(CN)N.CC(CN)N.[Pt+4].[Pt+4].[Pt+4]

Isomeric SMILES

CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CCC(C(=O)[O-])P(=O)([O-])[O-].CC(CN)N.CC(CN)N.CC(CN)N.[Pt+4].[Pt+4].[Pt+4]

InChI

InChI=1S/4C4H9O5P.3C3H10N2.3Pt/c4*1-2-3(4(5)6)10(7,8)9;3*1-3(5)2-4;;;/h4*3H,2H2,1H3,(H,5,6)(H2,7,8,9);3*3H,2,4-5H2,1H3;;;/q;;;;;;;3*+4/p-12