3-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyloxy)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyloxy)-4-methoxy-phenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-carboxyethyloxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyloxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyloxy)-4-methoxyphenyl]-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-[2-(2-carboxyethyloxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C30H30O9 MolecularWeight: 534.5538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCCC(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCCC(=O)O

InChI

InChI=1S/C30H30O9/c1-3-11-36-21-6-7-22-18(13-21)14-24(29(33)34)30(22,19-4-9-25-27(15-19)39-17-38-25)23-8-5-20(35-2)16-26(23)37-12-10-28(31)32/h4-9,13,15-16,24H,3,10-12,14,17H2,1-2H3,(H,31,32)(H,33,34)