Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@@]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br |
SMILES | CACTVS | 3.341 | CCCC[C]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC12CCC(=O)C(=C1c3ccc(cc3C2)O)Br |
InChI | InChI | 1.03 | InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | FTEBGBCQCYMDPH-KRWDZBQOSA-N |