LZO
5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid
Created: | 2022-07-18 |
Last modified: | 2023-08-16 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid |
Systematic Name (OpenEye OEToolkits) | 5-[5-(3-hydroxyphenyl)thiophen-2-yl]pentanoic acid |
Formula | C15 H16 O3 S |
Molecular Weight | 276.351 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)CCCCc1sc(cc1)c2cccc(O)c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)CCCCc1sc(cc1)c2cccc(O)c2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)O)c2ccc(s2)CCCCC(=O)O |
InChI | InChI | 1.06 | InChI=1S/C15H16O3S/c16-12-5-3-4-11(10-12)14-9-8-13(19-14)6-1-2-7-15(17)18/h3-5,8-10,16H,1-2,6-7H2,(H,17,18) |
InChIKey | InChI | 1.06 | IJYKTKXHUXBNPE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168451659 |