Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2HC    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
2 InChIKey InChI 1.03 PMOWTIHVNWZYFI-AATRIKPKSA-N
3 SMILES ACDLabs 10.04 O=C(O)/C=C/c1ccccc1O
4 SMILES CACTVS 3.341 OC(=O)C=Cc1ccccc1O
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)C=CC(=O)O)O
6 Canonical SMILES CACTVS 3.341 OC(=O)\C=C\c1ccccc1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)\C=C\C(=O)O)O