9-(3,4-dimethoxyphenyl)-8-methoxycarbonyl-6-phenylmethoxy-benzo[g][1,3]benzodioxole-7-carboxylic acid

Systemtic Name: 9-(3,4-dimethoxyphenyl)-8-methoxycarbonyl-6-phenylmethoxy-benzo[g][1,3]benzodioxole-7-carboxylic acid Openeye Name: 6-benzyloxy-9-(3,4-dimethoxyphenyl)-8-methoxycarbonyl-benzo[g][1,3]benzodioxole-7-carboxylic acid CAS Name: 9-(3,4-dimethoxyphenyl)-8-methoxycarbonyl-6-phenylmethoxy-7-benzo[g][1,3]benzodioxolecarboxylic acid IUPAC Name: 9-(3,4-dimethoxyphenyl)-8-methoxycarbonyl-6-phenylmethoxybenzo[g][1,3]benzodioxole-7-carboxylic acid Traditional Name: 6-benzoxy-8-carbomethoxy-9-(3,4-dimethoxyphenyl)benzo[g][1,3]benzodioxole-7-carboxylic acid Formula: C29H24O9 MolecularWeight: 516.49546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=C(C3=C2C4=C(C=C3)OCO4)OCC5=CC=CC=C5)C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C3=C2C4=C(C=C3)OCO4)OCC5=CC=CC=C5)C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C29H24O9/c1-33-19-11-9-17(13-21(19)34-2)22-23-18(10-12-20-27(23)38-15-37-20)26(36-14-16-7-5-4-6-8-16)25(28(30)31)24(22)29(32)35-3/h4-13H,14-15H2,1-3H3,(H,30,31)