2-(6-methanoyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-(6-methanoyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoic acid CAS Name: 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid Traditional Name: 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoic acid Formula: C18H16O8 MolecularWeight: 360.31484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=O)OCO3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=O)OCO3)OC)OC

InChI

InChI=1S/C18H16O8/c1-22-14-6-11(18(20)21)15(17(24-3)16(14)23-2)10-5-13-12(25-8-26-13)4-9(10)7-19/h4-7H,8H2,1-3H3,(H,20,21)