[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-[2-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]phenyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]phenyl]methyl ester IUPAC Name: [4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(4,4-dimethyl-2-oxazolin-2-yl)phenyl]benzyl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NC(CO4)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NC(CO4)(C)C

InChI

InChI=1S/C25H25NO4S/c1-18-8-14-21(15-9-18)31(27,28)30-16-19-10-12-20(13-11-19)22-6-4-5-7-23(22)24-26-25(2,3)17-29-24/h4-15H,16-17H2,1-3H3