Structural Complex
Chemical ID: 0JC
IUPAC Name: Di-mu-iodobis(ethylenediamine)diplatinum(II)
Formal Charge: ?
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: [I-]1[Pt][I-][Pt]1
InChI: InChI=1S/2HI.2Pt/h2*1H;;/p-2
InChI Key: LSECJOWKBJDLNA-UHFFFAOYSA-L
Physiochemical Descriptor:
Formula: C4 H16 I2 N4 Pt2
Molecular weight: 764.162
Hydrogen Bond Acceptor: 4
Hydrogen Bond Donor: 4
Rotatable Bonds: 6
Heavy Atoms: 12
Systematic name
Program Version Descriptor
OpenEye OEToolkits 1.7.6 6$l^{2},12$l^{2}-diioda-1$l^{4},4$l^{4},8$l^{4},11$l^{4}-tetraza-5$l^{4},7$l^{4}-diplatinadispiro[4.1.4^{7}.1^{5}]dodecane
ACDLabs 12.01 bis(ethane-1,2-diamine-kappa~2~N~1~,N~2~)(di-mu-iodo)diplatinum(2+)
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 [Pt+]12(NCCN1)I[Pt+]3(I2)NCCN3
InChI InChI 1.03 InChI=1S/2C2H8N2.2HI.2Pt/c2*3-1-2-4;;;;/h2*1-4H2;2*1H;;/q;;;;2*+1
InChIKey InChI 1.03 XXLKNYJQAYMQHB-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [Pt+]|1|2(|NCCN|1)|I[Pt+]|3(|NCCN|3)I|2
SMILES CACTVS 3.385 [Pt+]|1|2(|NCCN|1)|I[Pt+]|3(|NCCN|3)I|2
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3
SMILES OpenEye OEToolkits 1.7.6 C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3
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