RDH
3-[(1-Carboxyvinyl)oxy]benzoic acid
Created: | 2020-09-25 |
Last modified: | 2021-10-06 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 3-[(1-Carboxyvinyl)oxy]benzoic acid |
Synonyms | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid |
Systematic Name (OpenEye OEToolkits) | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid |
Formula | C10 H8 O5 |
Molecular Weight | 208.168 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)C(=C)Oc1cccc(c1)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C=C(C(=O)O)Oc1cccc(c1)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)C(=C)Oc1cccc(c1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C=C(C(=O)O)Oc1cccc(c1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14) |
InChIKey | InChI | 1.03 | HGVAHYJMDVROLE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 23844017 |
ChEBI | CHEBI:77107 |