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

Systemtic Name: methyl 5-(3,4-diethoxyphenyl)-8-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylate Openeye Name: methyl 5-(3,4-diethoxyphenyl)-8-hydroxy-benzo[f][1,3]benzodioxole-6-carboxylate CAS Name: 5-(3,4-diethoxyphenyl)-8-hydroxy-6-benzo[f][1,3]benzodioxolecarboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-diethoxyphenyl)-8-hydroxybenzo[f][1,3]benzodioxole-6-carboxylate Traditional Name: 5-(3,4-diethoxyphenyl)-8-hydroxy-benzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester Formula: C23H22O7 MolecularWeight: 410.41658

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H22O7/c1-4-27-18-7-6-13(8-19(18)28-5-2)22-15-11-21-20(29-12-30-21)10-14(15)17(24)9-16(22)23(25)26-3/h6-11,24H,4-5,12H2,1-3H3