5-(3,4-diethoxyphenyl)-8-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid

Systemtic Name: 5-(3,4-diethoxyphenyl)-8-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid Openeye Name: 5-(3,4-diethoxyphenyl)-8-hydroxy-benzo[f][1,3]benzodioxole-6-carboxylic acid CAS Name: 5-(3,4-diethoxyphenyl)-8-hydroxy-6-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 5-(3,4-diethoxyphenyl)-8-hydroxybenzo[f][1,3]benzodioxole-6-carboxylic acid Traditional Name: 5-(3,4-diethoxyphenyl)-8-hydroxy-benzo[f][1,3]benzodioxole-6-carboxylic acid Formula: C22H20O7 MolecularWeight: 396.39

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)O)OCC

InChI

InChI=1S/C22H20O7/c1-3-26-17-6-5-12(7-18(17)27-4-2)21-14-10-20-19(28-11-29-20)9-13(14)16(23)8-15(21)22(24)25/h5-10,23H,3-4,11H2,1-2H3,(H,24,25)