Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(CCCCCC(O)=O)C(=O)c2ccccc2C1=O |
SMILES | CACTVS | 3.341 | CC1=C(CCCCCC(O)=O)C(=O)c2ccccc2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19) |
InChIKey | InChI | 1.03 | ICGRXHWXPCXIKM-UHFFFAOYSA-N |