3-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-2H-chromen-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-2H-chromen-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)chroman-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-2H-chromen-4-one Traditional Name: 3-methylol-3-piperonyl-chroman-4-one Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2O1)(CC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2O1)(CC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C18H16O5/c19-9-18(8-12-5-6-15-16(7-12)23-11-22-15)10-21-14-4-2-1-3-13(14)17(18)20/h1-7,19H,8-11H2