sodium 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-1,2-dihydroindene-2-carboxylate

Systemtic Name: sodium 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-propoxy-1,2-dihydroindene-2-carboxylate Openeye Name: sodium 1-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-phenyl]-6-propoxy-indane-2-carboxylate CAS Name: sodium 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-1,2-dihydroindene-2-carboxylate IUPAC Name: sodium 3-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-1,2-dihydroindene-2-carboxylate Traditional Name: sodium 1-(1,3-benzodioxol-5-yl)-1-[2-(carboxymethyloxy)-4-methoxy-phenyl]-6-propoxy-indane-2-carboxylate Formula: C29H27NaO9 MolecularWeight: 542.50905

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(CC(C2(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCC(=O)O)C(=O)[O-])C=C1.[Na+]

Isomeric SMILES

CCCOC1=CC2=C(CC(C2(C3=CC4=C(C=C3)OCO4)C5=C(C=C(C=C5)OC)OCC(=O)O)C(=O)[O-])C=C1.[Na+]

InChI

InChI=1S/C29H28O9.Na/c1-3-10-35-20-6-4-17-11-23(28(32)33)29(22(17)13-20,18-5-9-24-26(12-18)38-16-37-24)21-8-7-19(34-2)14-25(21)36-15-27(30)31;/h4-9,12-14,23H,3,10-11,15-16H2,1-2H3,(H,30,31)(H,32,33);/q;+1/p-1