BHC
Summary
| Name: | BENZENE HEXACARBOXYLIC ACID |
| Formula: | C12 H6 O12 |
| Formal charge: | 0 |
| Formula weight: | 342.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzene-1,2,3,4,5,6-hexacarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | benzene-1,2,3,4,5,6-hexacarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1c(C(O)=O)c(C(O)=O)c(C(O)=O)c(C(O)=O)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.03 | YDSWCNNOKPMOTP-UHFFFAOYSA-N |
