4KV
Summary
| Name: | 3-[2-chloranyl-2-[dimethyl(oxidanylidene)-$l^{5}-sulfanyl]-4-ethylsulfanyl-1-oxa-3$l^{3}-thia-2$l^{4}-platinacyclohexa-3,5-dien-6-yl]phenol |
| Formula: | C13 H17 Cl O3 Pt S3 |
| Formal charge: | null |
| Formula weight: | 547.998 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (T-4-S)-chlorido[(1M)-3-(ethylsulfanyl)-1-(3-hydroxyphenyl)-3-(sulfanylidene-kappaS)prop-1-en-1-olato-kappaO][(methanesulfinyl-kappaS)methane]platinum |
| OpenEye OEToolkits | 3.1.0.0 | 3-[2-chloranyl-2-[dimethyl(oxidanylidene)-$l^{5}-sulfanyl]-4-ethylsulfanyl-1-oxa-3$l^{3}-thia-2$l^{4}-platinacyclohexa-3,5-dien-6-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cl[Pt]1(OC(=CC(SCC)=S1)c1cccc(O)c1)S(=O)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C11H12O2S2.C2H7OS.ClH.Pt/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8;1-4(2)3;;/h3-7,12-13H,2H2,1H3;4H,1-2H3;1H;/q;;;+2/p-2/b10-7-;;; |
| InChIKey | InChI | 1.06 | IFUGKFZZKYZCCG-SULXSYCDSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSC(=S)C=C(O[Pt]Cl)c1cccc(O)c1.C[S](C)=O |
| SMILES | CACTVS | 3.385 | CCSC(=S)C=C(O[Pt]Cl)c1cccc(O)c1.C[S](C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)([S](=O)(C)C)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)([S](=O)(C)C)Cl |
