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

Systemtic Name: [2-[(Z)-(5-oxidanylidene-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-(5-oxo-3-phenyl-isoxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-(5-oxo-3-phenyl-4-isoxazolylidene)methyl]phenyl] ester IUPAC Name: [2-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-(5-keto-3-phenyl-2-isoxazolin-4-ylidene)methyl]phenyl] ester Formula: C23H17NO5S MolecularWeight: 419.44978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=NOC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=C\3/C(=NOC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17NO5S/c1-16-11-13-19(14-12-16)30(26,27)29-21-10-6-5-9-18(21)15-20-22(24-28-23(20)25)17-7-3-2-4-8-17/h2-15H,1H3/b20-15-