O7Z
Summary
| Name: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
| Synonyms: | indanyloxyacetic acid-94 IAA-94 |
| Formula: | C17 H18 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 357.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21) |
| InChIKey | InChI | 1.03 | RNOJGTHBMJBOSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 |
| SMILES | CACTVS | 3.385 | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 |
