Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 6PN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
2 InChIKey InChI 1.03 SXGQGHHNOWYMRT-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O(c1ccccc1)c2ccc(cc2O)CCCCCC
4 SMILES CACTVS 3.370 CCCCCCc1ccc(Oc2ccccc2)c(O)c1
5 SMILES OpenEye OEToolkits 1.7.6 CCCCCCc1ccc(c(c1)O)Oc2ccccc2
6 Canonical SMILES CACTVS 3.370 CCCCCCc1ccc(Oc2ccccc2)c(O)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCc1ccc(c(c1)O)Oc2ccccc2