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PDBeChem : Molecule Descriptors
Molecule : 8P0
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H |
2 |
InChIKey
|
InChI |
1.03 |
BBEAQIROQSPTKN-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
c1cc4c3c(c1)ccc2cccc(c23)cc4 |
4 |
SMILES
|
CACTVS |
3.385 |
c1cc2ccc3cccc4ccc(c1)c2c34 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2ccc3cccc4c3c2c(c1)cc4 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
c1cc2ccc3cccc4ccc(c1)c2c34 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2ccc3cccc4c3c2c(c1)cc4 |
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