| SpectraBase Spectrum ID |
HTlmm0iQk01 |
| Name |
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, (2-carboxy-4-formyl-3,5-dihydroxyphenyl)methyl ester |
| CAS Registry Number |
529-50-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14O10 |
| InChI |
InChI=1S/C18H14O10/c1-7-2-11(21)9(4-19)15(23)13(7)18(27)28-6-8-3-12(22)10(5-20)16(24)14(8)17(25)26/h2-5,21-24H,6H2,1H3,(H,25,26) |
| InChIKey |
QAUIZXBSXBMGCF-UHFFFAOYSA-N |
| Molecular Weight |
390.300 g/mol |
| SMILES |
Oc1c(c(c(C(OCc2cc(c(c(c2C(=O)O)O)C=O)O)=O)c(c1)C)O)C=O |
| SPLASH |
splash10-0udi-4900000000-d60251645758697f80ef |
| Source of Spectrum |
SD-1981-0-0 |
| Synonyms |
3-formyl-6-{[(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxy]methyl}-2,4-dihydroxybenzoic acid
Barbatolic acid
Isophthalaldehydic acid, 2,4-dihydroxy-6-(hydroxymethyl)-, 6-(2,4-dihydroxy-6-methylisophthalaldehydate) |
| Wiley ID |
1364626 |
