Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)CC=C(C#Cc2ccccc2)c3cc(/C=C/c4ccc(cc4)C(O)=O)ccc13 |
SMILES | CACTVS | 3.352 | CC1(C)CC=C(C#Cc2ccccc2)c3cc(C=Cc4ccc(cc4)C(O)=O)ccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1(CC=C(c2c1ccc(c2)C=Cc3ccc(cc3)C(=O)O)C#Cc4ccccc4)C |
InChI | InChI | 1.03 | InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+ |
InChIKey | InChI | 1.03 | YCADIXLLWMXYKW-CMDGGOBGSA-N |