| 2D Structure | |
| CID | 5464155 |
| IUPAC Name | 4-(ethoxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid |
| InChI | InChI=1S/C20H18O9/c1-4-27-7-11-15(23)14(19(24)25)9(3)16-18(11)29-20(26)13-8(2)5-12(22)10(6-21)17(13)28-16/h5-6,22-23H,4,7H2,1-3H3,(H,24,25) |
| InChI Key | SPLUKWYWJOQKMJ-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H18O9 |
| Molecular Weight | 402.4 |
| synonyms | ['Cetraric acid', '489-49-6', '38E6XBV79E', 'DTXSID10197632', '4-(ethoxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid', '4-(ethoxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo(b)(1,4)benzodioxepine-2-carboxylic acid', 'RefChem:1074913', 'DTXCID70120123', '207-697-2', '9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid', 'Cetrarin', '9-Ethoxymethyl-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxodibenzo(b,e)(1,4)dioxepin-7-carboxylic acid', 'EINECS 207-697-2', 'UNII-38E6XBV79E', 'STICTIN', 'CETRARIC ACID [MI]', 'SCHEMBL2115376', 'CHEBI:144134', 'SPLUKWYWJOQKMJ-UHFFFAOYSA-N', 'NS00022227', 'Q27256777', '11H-DIBENZO(B,E)(1,4)DIOXEPIN-7-CARBOXYLIC ACID, 9-(ETHOXYMETHYL)-4-FORMYL-3,8-DIHYDROXY-1,6-DIMETHYL-11-OXO-', '9-(Ethoxymethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid', 'ISOPHTHALALDEHYDIC ACID, 2-((3-CARBOXY-.ALPHA.5-ETHOXY-4,6-DIHYDROXY-2,5-XYLYL)OXY)-4-HYDROXY-6-METHYL-, .EPSILON.-LACTONE'] |
From Pubchem