V4R
Summary
| Name: | 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid |
| Formula: | C15 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,5,5-trimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc2c(CCCCC2(C)C)cc1C |
| InChI | InChI | 1.06 | InChI=1S/C15H20O2/c1-10-8-11-6-4-5-7-15(2,3)13(11)9-12(10)14(16)17/h8-9H,4-7H2,1-3H3,(H,16,17) |
| InChIKey | InChI | 1.06 | OKYQUEUSNCCTIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2CCCCC(C)(C)c2cc1C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc2CCCCC(C)(C)c2cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C(=O)O)C(CCCC2)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(cc1C(=O)O)C(CCCC2)(C)C |
