[9-bromanyl-3,3-dimethyl-7,10-bis(oxidanylidene)benzo[f]chromen-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-bromanyl-3,3-dimethyl-7,10-bis(oxidanylidene)benzo[f]chromen-8-yl] 4-methylbenzenesulfonate Openeye Name: (9-bromo-3,3-dimethyl-7,10-dioxo-benzo[f]chromen-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (9-bromo-3,3-dimethyl-7,10-dioxo-8-benzo[f][1]benzopyranyl) ester IUPAC Name: (9-bromo-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-bromo-7,10-diketo-3,3-dimethyl-benzo[f]chromen-8-yl) ester Formula: C22H17BrO6S MolecularWeight: 489.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=C(C2=O)C=CC4=C3C=CC(O4)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=C(C2=O)C=CC4=C3C=CC(O4)(C)C)Br

InChI

InChI=1S/C22H17BrO6S/c1-12-4-6-13(7-5-12)30(26,27)29-21-18(23)20(25)17-14-10-11-22(2,3)28-16(14)9-8-15(17)19(21)24/h4-11H,1-3H3