EFX
Summary
Name: | 3-(3-methoxycarbonylphenyl)benzoic acid |
Formula: | C15 H12 O4 |
Formal charge: | 0 |
Formula weight: | 256.253 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-(3-methoxycarbonylphenyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17) |
InChIKey | InChI | 1.03 | CJWQBLCGSMIQJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O |
SMILES | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O |