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PDBeChem : Molecule Descriptors
Molecule : 6PN
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
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 |
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