Chemical Descriptors |
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Type | Program | Version | Descriptor |
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SMILES | ACDLabs | 12.01 | [Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4ccccc4)(c5ccccc5)c6ccccc6 |
SMILES | CACTVS | 3.385 | Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl |
Canonical SMILES | CACTVS | 3.385 | Cl[Pt++]c1ccccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5ccccc5 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H15P.C11H8N.ClH.Pt/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-15H;1-6,8-9H;1H;/q;;;+2 |
InChIKey | InChI | 1.03 | KHJLZDWNJSEPIZ-UHFFFAOYSA-N |