phenyl 2-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)ethanesulfonate

Systemtic Name: phenyl 2-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)ethanesulfonate Openeye Name: phenyl 2-(1-oxo-4-phenyl-phthalazin-2-yl)ethanesulfonate CAS Name: 2-(1-oxo-4-phenyl-2-phthalazinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-oxo-4-phenylphthalazin-2-yl)ethanesulfonate Traditional Name: 2-(1-keto-4-phenyl-phthalazin-2-yl)ethanesulfonic acid phenyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S/c25-22-20-14-8-7-13-19(20)21(17-9-3-1-4-10-17)23-24(22)15-16-29(26,27)28-18-11-5-2-6-12-18/h1-14H,15-16H2