3-(1,3-benzodioxol-5-yl)-5-oxidanyl-1-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-oxidanyl-1-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-1-(2,4,6-trimethoxyphenyl)indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-1-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-1-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-1-(2,4,6-trimethoxyphenyl)indane-2-carboxylic acid Formula: C26H24O8 MolecularWeight: 464.46396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24O8/c1-30-15-10-20(31-2)24(21(11-15)32-3)23-16-6-5-14(27)9-17(16)22(25(23)26(28)29)13-4-7-18-19(8-13)34-12-33-18/h4-11,22-23,25,27H,12H2,1-3H3,(H,28,29)