1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione

Systemtic Name: 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione Openeye Name: 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione CAS Name: 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione IUPAC Name: 1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione Traditional Name: 1,4-bis(1,3-benzodioxol-5-yl)-2-methylol-butane-1,4-dione Formula: C19H16O7 MolecularWeight: 356.32614

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CC(CO)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CC(CO)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16O7/c20-8-13(19(22)12-2-4-16-18(7-12)26-10-24-16)5-14(21)11-1-3-15-17(6-11)25-9-23-15/h1-4,6-7,13,20H,5,8-10H2