種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C14H13N2.C2H2.CH3.H2N.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-2;;;/h3-5,7-8H,6H2,1-2H3;1-2H;1H3;1H2;/q-1;;;-1;+3 |
InChIKey | InChI | 1.03 | LXADSRPTCIXTGZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C |
SMILES | CACTVS | 3.385 | CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N |