OVG
Summary
Name: | (6-butoxy-1-benzofuran-3-yl)acetic acid |
Formula: | C14 H16 O4 |
Formal charge: | 0 |
Formula weight: | 248.274 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (6-butoxy-1-benzofuran-3-yl)acetic acid |
OpenEye OEToolkits | 2.0.7 | 2-(6-butoxy-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(O)Cc2coc1c2ccc(c1)OCCCC |
InChI | InChI | 1.03 | InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16) |
InChIKey | InChI | 1.03 | SZOTYOZQWWESFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1ccc2c(CC(O)=O)coc2c1 |
SMILES | CACTVS | 3.385 | CCCCOc1ccc2c(CC(O)=O)coc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc2c(c1)occ2CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc2c(c1)occ2CC(=O)O |