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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-5-hydroxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-5-hydroxy-indane-2-carboxylic acid Formula: C25H22O7 MolecularWeight: 434.43798

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22O7/c1-29-15-5-7-17(20(11-15)30-2)23-18-10-14(26)4-6-16(18)22(24(23)25(27)28)13-3-8-19-21(9-13)32-12-31-19/h3-11,22-24,26H,12H2,1-2H3,(H,27,28)