Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : C2Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H6NO6P/c9-6-3-4(8-14-6)5-1-2-7(13-5)15(10,11)12/h1-3,9H,(H2,10,11,12)
2 InChIKey InChI 1.03 BRLJHMCTDKAUAY-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OP(c1ccc(o1)c2cc(O)on2)(O)=O
4 SMILES CACTVS 3.385 Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.9.2 c1cc(oc1c2cc(on2)O)P(=O)(O)O
6 Canonical SMILES CACTVS 3.385 Oc1onc(c1)c2oc(cc2)[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(oc1c2cc(on2)O)P(=O)(O)O