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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)[O-])C4=CC5=C(C=C4)OCO5.[Na+]

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)[O-])C4=CC5=C(C=C4)OCO5.[Na+]

InChI

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