3-(1,3-benzodioxol-5-ylmethyl)-8-methyl-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromene-6-carbaldehyde

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-methyl-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromene-6-carbaldehyde Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-chromane-6-carbaldehyde CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxaldehyde IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-2,3-dihydrochromene-6-carbaldehyde Traditional Name: 5,7-dihydroxy-4-keto-8-methyl-3-piperonyl-chroman-6-carbaldehyde Formula: C19H16O7 MolecularWeight: 356.32614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1OCC(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O

Isomeric SMILES

CC1=C(C(=C(C2=C1OCC(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O

InChI

InChI=1S/C19H16O7/c1-9-16(21)12(6-20)18(23)15-17(22)11(7-24-19(9)15)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-6,11,21,23H,4,7-8H2,1H3