BG9
Summary
| Name: | (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid) |
| Formula: | C12 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid) |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[2-[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[C@H]C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H10O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+ |
| InChIKey | InChI | 1.03 | ZFCNOKDRWHSHNR-KQQUZDAGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccccc1/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccccc1C=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=CC(=O)O)C=CC(=O)O |
