Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H](c1ccccc1)C2=C(O)C3=C(CCCCC3)OC2=O |
SMILES | CACTVS | 3.341 | CC[CH](c1ccccc1)C2=C(O)C3=C(CCCCC3)OC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H22O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14,20H,2,4,7-8,11-12H2,1H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | YKJXQZGJGDTEOC-AWEZNQCLSA-N |