3-(1,3-benzodioxol-5-yl)-2-methanoyl-1-(4-methoxyphenyl)indene-1-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methanoyl-1-(4-methoxyphenyl)indene-1-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-formyl-1-(4-methoxyphenyl)indene-1-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-formyl-1-(4-methoxyphenyl)-1-indenecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-formyl-1-(4-methoxyphenyl)indene-1-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-formyl-1-(4-methoxyphenyl)indene-1-carboxylic acid Formula: C25H18O6 MolecularWeight: 414.40682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C2C=O)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C2C=O)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H18O6/c1-29-17-9-7-16(8-10-17)25(24(27)28)19-5-3-2-4-18(19)23(20(25)13-26)15-6-11-21-22(12-15)31-14-30-21/h2-13H,14H2,1H3,(H,27,28)