Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3CCC4C2=CCc1c(ccc(O)c1)C2CCC34C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O |
SMILES | CACTVS | 3.341 | C[C]12CC[CH]3C(=CCc4cc(O)ccc34)[CH]1CCC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC12CCC3c4ccc(cc4CC=C3C1CCC2=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1 |
InChIKey | InChI | 1.03 | WKRLQDKEXYKHJB-HFTRVMKXSA-N |