[3-[(3-azanyl-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-oxidanyl-propyl]azanide; methylsulfinylmethane; platinum(2+); propanedioate

Systemtic Name: [3-[(3-azanyl-2-oxidanyl-propyl)-(phenylmethyl)amino]-2-oxidanyl-propyl]azanide; methylsulfinylmethane; platinum(2+); propanedioate Openeye Name: [3-[(3-amino-2-hydroxy-propyl)-benzyl-amino]-2-hydroxy-propyl]azanide; methylsulfinylmethane; platinum(2+); propanedioate CAS Name: [3-[(3-amino-2-hydroxypropyl)-(phenylmethyl)amino]-2-hydroxypropyl]azanide; methylsulfinylmethane; platinum(2+); propanedioate IUPAC Name: [3-[(3-amino-2-hydroxypropyl)-benzylamino]-2-hydroxypropyl]azanide; methylsulfinylmethane; platinum(2+); propanedioate Traditional Name: [3-[(3-amino-2-hydroxy-propyl)-benzyl-amino]-2-hydroxy-propyl]azanide; malonate; methylsulfinylmethane; platinum(2+) Formula: C18H30N3O7PtS- MolecularWeight: 627.5897

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C.C1=CC=C(C=C1)CN(CC(CN)O)CC(C[NH-])O.C(C(=O)[O-])C(=O)[O-].[Pt+2]

Isomeric SMILES

CS(=O)C.C1=CC=C(C=C1)CN(CC(CN)O)CC(C[NH-])O.C(C(=O)[O-])C(=O)[O-].[Pt+2]

InChI

InChI=1S/C13H22N3O2.C3H4O4.C2H6OS.Pt/c14-6-12(17)9-16(10-13(18)7-15)8-11-4-2-1-3-5-11;4-2(5)1-3(6)7;1-4(2)3;/h1-5,12-14,17-18H,6-10,15H2;1H2,(H,4,5)(H,6,7);1-2H3;/q-1;;;+2/p-2