[2-(furan-2-yl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(furan-2-yl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2-furyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-furanyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-furyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C22H18O6S MolecularWeight: 410.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=C(C=C3C2=O)C)C)C4=CC=CO4

InChI

InChI=1S/C22H18O6S/c1-13-6-8-16(9-7-13)29(24,25)28-22-20(23)17-11-14(2)15(3)12-19(17)27-21(22)18-5-4-10-26-18/h4-12H,1-3H3