[2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [2,6-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [2,6-dimethyl-4-(3-methyl-4-oxo-1-phthalazinyl)phenyl] ester IUPAC Name: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [4-(4-keto-3-methyl-phthalazin-1-yl)-2,6-dimethyl-phenyl] ester Formula: C23H18Cl2N2O4S MolecularWeight: 489.37102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H18Cl2N2O4S/c1-13-10-15(21-17-6-4-5-7-18(17)23(28)27(3)26-21)11-14(2)22(13)31-32(29,30)20-12-16(24)8-9-19(20)25/h4-12H,1-3H3