SpectraBase Spectrum ID |
CXxplKTjRyM |
Name |
2-[(E)-2-(1,3-benzodioxol-5-yl)-1-carboxyethenyl]benzoic acid |
Alternate Name(s) |
2-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C17H12O6 |
InChI |
InChI=1S/C17H12O6/c18-16(19)12-4-2-1-3-11(12)13(17(20)21)7-10-5-6-14-15(8-10)23-9-22-14/h1-8H,9H2,(H,18,19)(H,20,21)/b13-7+ |
InChIKey |
JSJVIDYQFXVZIE-NTUHNPAUSA-N |
Molecular Weight |
312.277 g/mol |
SMILES |
OC(c1c(\C(C(=O)O)=C\c2cc3OCOc3cc2)cccc1)=O |
SPLASH |
splash10-0j4l-4932000000-14e5b99a3b2e1e759f21 |
Source of Spectrum |
SK-32-398-2 |
Wiley ID |
1548988 |