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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2-carboxy-4-methoxy-phenyl)-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-(2-carboxy-4-methoxy-phenyl)-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2-carboxy-4-methoxyphenyl)-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(2-carboxy-4-methoxyphenyl)-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-(2-carboxy-4-methoxy-phenyl)-5-propoxy-indane-2-carboxylic acid Formula: C28H26O8 MolecularWeight: 490.50124

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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)C(=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)C(=O)O

InChI

InChI=1S/C28H26O8/c1-3-10-34-19-6-7-21-16(11-19)12-23(27(31)32)28(21,17-4-9-24-25(13-17)36-15-35-24)22-8-5-18(33-2)14-20(22)26(29)30/h4-9,11,13-14,23H,3,10,12,15H2,1-2H3,(H,29,30)(H,31,32)