1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-hydroxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxy-phenyl]-5-hydroxy-indane-2-carboxylic acid Formula: C26H22O9 MolecularWeight: 478.44748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)OCO5)C(=O)O)OCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)OCO5)C(=O)O)OCC(=O)O

InChI

InChI=1S/C26H22O9/c1-32-15-4-6-17(20(10-15)33-11-22(28)29)24-18-9-14(27)3-5-16(18)23(25(24)26(30)31)13-2-7-19-21(8-13)35-12-34-19/h2-10,23-25,27H,11-12H2,1H3,(H,28,29)(H,30,31)