[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-methoxybenzenesulfonate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-methoxybenzenesulfonate Openeye Name: [3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-chromen-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-6-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(1,3-benzodioxol-5-yl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C24H18O8S MolecularWeight: 466.45992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18O8S/c1-14-19-12-17(32-33(26,27)18-7-4-16(28-2)5-8-18)6-10-20(19)31-24(25)23(14)15-3-9-21-22(11-15)30-13-29-21/h3-12H,13H2,1-2H3