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

Systemtic Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid; sodium Openeye Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid; sodium CAS Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid; sodium IUPAC Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-1,3-benzodioxole-5-carboxylic acid; sodium Traditional Name: 4-(5-carboxy-7-methoxy-1,3-benzodioxol-4-yl)-7-methoxy-piperonylic acid; sodium Formula: C18H14Na2O10 MolecularWeight: 436.2773

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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)OC)OCO4)OCO2.[Na].[Na]

Isomeric SMILES

COC1=C2C(=C(C(=C1)C(=O)O)C3=C4C(=C(C=C3C(=O)O)OC)OCO4)OCO2.[Na].[Na]

InChI

InChI=1S/C18H14O10.2Na/c1-23-9-3-7(17(19)20)11(15-13(9)25-5-27-15)12-8(18(21)22)4-10(24-2)14-16(12)28-6-26-14;;/h3-4H,5-6H2,1-2H3,(H,19,20)(H,21,22);;