4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-oxidanyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-oxidanyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-hydroxy-1,3-benzodioxole-5-carboxylic acid CAS Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-hydroxy-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-hydroxy-1,3-benzodioxole-5-carboxylic acid Traditional Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-hydroxy-piperonylic acid Formula: C17H12O10 MolecularWeight: 376.27118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C(=O)O)C3=C4C(=C(C=C3C(=O)O)O)OCO4)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)C(=O)O)C3=C4C(=C(C=C3C(=O)O)O)OCO4)OCO2

InChI

InChI=1S/C17H12O10/c1-23-9-3-7(17(21)22)11(15-13(9)25-5-27-15)10-6(16(19)20)2-8(18)12-14(10)26-4-24-12/h2-3,18H,4-5H2,1H3,(H,19,20)(H,21,22)