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PDBeChem : Molecule Descriptors
Molecule : A1H0L
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12) |
2 |
InChIKey
|
InChI |
1.06 |
VFZQJKXVHYZXMM-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OC(=O)Cc1csc2ccccc12 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(cs2)CC(=O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)Cc1csc2ccccc12 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(cs2)CC(=O)O |
|