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

Systemtic Name: [8-bromanyl-3,3-dimethyl-7,10-bis(oxidanylidene)benzo[f]chromen-9-yl] 4-methylbenzenesulfonate Openeye Name: (8-bromo-3,3-dimethyl-7,10-dioxo-benzo[f]chromen-9-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-bromo-3,3-dimethyl-7,10-dioxo-9-benzo[f][1]benzopyranyl) ester IUPAC Name: (8-bromo-3,3-dimethyl-7,10-dioxobenzo[f]chromen-9-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-bromo-7,10-diketo-3,3-dimethyl-benzo[f]chromen-9-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)C4=C(C=C3)OC(C=C4)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=C(C2=O)C4=C(C=C3)OC(C=C4)(C)C)Br

InChI

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