5-(1,3-benzodioxol-5-yl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-methyl-3-furoic acid Formula: C13H10O5 MolecularWeight: 246.2155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C13H10O5/c1-7-9(13(14)15)5-11(18-7)8-2-3-10-12(4-8)17-6-16-10/h2-5H,6H2,1H3,(H,14,15)