Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC(O)CCc1ccc(cc1)c2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.352 | O[C@@H](CCc1ccc(cc1)c2ccccc2)CC(O)=O |
SMILES | CACTVS | 3.352 | O[CH](CCc1ccc(cc1)c2ccccc2)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | ILGSIIFHQGOKKV-INIZCTEOSA-N |