Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 72V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
2 InChIKey InChI 1.03 VCYBVWFTGAZHGH-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CN1C(=O)C(=O)c2ccccc12
4 SMILES OpenEye OEToolkits 2.0.5 CN1c2ccccc2C(=O)C1=O
5 Canonical SMILES CACTVS 3.385 CN1C(=O)C(=O)c2ccccc12
6 Canonical SMILES OpenEye OEToolkits 2.0.5 CN1c2ccccc2C(=O)C1=O