| Molecular Formula | C18H14O8 |
| Canonicalized Compound | 1 |
| Compound Complexity | 483 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Rotatable Bond Count | 9 |
| Allowed IUPAC Name | (2R,3R)-2,3-dibenzoyloxybutanedioic acid |
| CAS-like Style IUPAC Name | (2R,3R)-2,3-dibenzoyloxybutanedioic acid |
| Markup IUPAC Name | (2<I>R</I>,3<I>R</I>)-2,3-dibenzoyloxybutanedioic acid |
| Preferred IUPAC Name | (2R,3R)-2,3-dibenzoyloxybutanedioic acid |
| Systematic IUPAC Name | (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioic acid |
| Traditional IUPAC Name | (2R,3R)-2,3-dibenzoyloxysuccinic acid |
| Standard InChI | InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1 |
| Standard InChIKey | YONLFQNRGZXBBF-ZIAGYGMSSA-N |
| XLogP3-AA Log P | 2.6 |
| Exact Mass | 358.06886740 |
| Molecular Weight | 358.3 |
| Canonical SMILES | C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O |
| Polar Surface Area Topological | 127 |
| MonoIsotopic Weight | 358.06886740 |
| Chemical Structure |  |
| Class | Specialty Materials |
