[7-chloranyl-2-methyl-4,6,9-tris(oxidanylidene)benzo[g]chromen-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-chloranyl-2-methyl-4,6,9-tris(oxidanylidene)benzo[g]chromen-5-yl] 4-methylbenzenesulfonate Openeye Name: (7-chloro-2-methyl-4,6,9-trioxo-benzo[g]chromen-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-chloro-2-methyl-4,6,9-trioxo-5-benzo[g][1]benzopyranyl) ester IUPAC Name: (7-chloro-2-methyl-4,6,9-trioxobenzo[g]chromen-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-chloro-4,6,9-triketo-2-methyl-benzo[g]chromen-5-yl) ester Formula: C21H13ClO7S MolecularWeight: 444.84172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2C(=O)C=C(O4)C)C(=O)C=C(C3=O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2C(=O)C=C(O4)C)C(=O)C=C(C3=O)Cl

InChI

InChI=1S/C21H13ClO7S/c1-10-3-5-12(6-4-10)30(26,27)29-21-18-13(15(23)9-14(22)20(18)25)8-17-19(21)16(24)7-11(2)28-17/h3-9H,1-2H3