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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-ethoxy-4-methoxy-phenyl)-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-ethoxy-4-methoxy-phenyl)-5-hydroxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-ethoxy-4-methoxyphenyl)-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-ethoxy-4-methoxyphenyl)-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-ethoxy-4-methoxy-phenyl)-5-hydroxy-indane-2-carboxylic acid Formula: C26H24O7 MolecularWeight: 448.46456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H24O7/c1-3-31-21-12-16(30-2)6-8-18(21)24-19-11-15(27)5-7-17(19)23(25(24)26(28)29)14-4-9-20-22(10-14)33-13-32-20/h4-12,23-25,27H,3,13H2,1-2H3,(H,28,29)