3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-1-oxidanyl-indene-2-carboxylate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-1-oxidanyl-indene-2-carboxylate Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(4-methoxyphenyl)indene-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(4-methoxyphenyl)-2-indenecarboxylate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(4-methoxyphenyl)indene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(4-methoxyphenyl)indene-2-carboxylate Formula: C24H17O6- MolecularWeight: 401.38818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18O6/c1-28-16-9-7-15(8-10-16)24(27)18-5-3-2-4-17(18)21(22(24)23(25)26)14-6-11-19-20(12-14)30-13-29-19/h2-12,27H,13H2,1H3,(H,25,26)/p-1