[4-bromanyl-2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(5-oxo-2-phenyl-4-oxazolylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(5-keto-2-phenyl-2-oxazolin-4-ylidene)methyl]phenyl] ester Formula: C23H16BrNO5S MolecularWeight: 498.34584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H16BrNO5S/c1-15-7-10-19(11-8-15)31(27,28)30-21-12-9-18(24)13-17(21)14-20-23(26)29-22(25-20)16-5-3-2-4-6-16/h2-14H,1H3