[2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-keto-3-methyl-phthalazin-1-yl)-2,6-dimethyl-phenyl] ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C24H22N2O4S/c1-15-9-11-19(12-10-15)31(28,29)30-23-16(2)13-18(14-17(23)3)22-20-7-5-6-8-21(20)24(27)26(4)25-22/h5-14H,1-4H3