ISDA: 8C64

A6R
PT

Structural Complex

Chemical ID: A6R

IUPAC Name: arsenoplatin-1

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C4 H10 As Cl N2 O4 Pt

Molecular weight: 455.586

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 4

Rotatable Bonds: 6

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	5-chloranyl-3,7-dimethyl-1,1-bis(oxidanyl)-2,8-dioxa-4$l^{4},6$l^{4}-diaza-1$l^{5}-arsa-5$l^{4}-platinabicyclo[3.3.0]octa-3,6-diene

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C4H10AsN2O4.ClH.Pt/c1-3(6)10-5(8,9)11-4(2)7;;/h6-9H,1-2H3;1H;/q+1;;/p-1
InChIKey	InChI	1.06	LMNMQPFTLHJWFC-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	CC(=N)O[As](O)(O)(OC(=N)C)[Pt]Cl
SMILES	CACTVS	3.385	CC(=N)O[As](O)(O)(OC(=N)C)[Pt]Cl
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC1=[NH][Pt]2([NH]=C(O[As]2(O1)(O)O)C)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	CC1=[NH][Pt]2([NH]=C(O[As]2(O1)(O)O)C)Cl