[2-[(1R,2R)-2-bromanyl-1-methoxy-3-oxidanylidene-3-phenyl-propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(1R,2R)-2-bromanyl-1-methoxy-3-oxidanylidene-3-phenyl-propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(1R,2R)-2-bromo-1-methoxy-3-oxo-3-phenyl-propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(1R,2R)-2-bromo-1-methoxy-3-oxo-3-phenylpropyl]phenyl] ester IUPAC Name: [2-[(1R,2R)-2-bromo-1-methoxy-3-oxo-3-phenylpropyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(1R,2R)-2-bromo-3-keto-1-methoxy-3-phenyl-propyl]phenyl] ester Formula: C23H21BrO5S MolecularWeight: 489.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C(C(=O)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2[C@H]([C@H](C(=O)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C23H21BrO5S/c1-16-12-14-18(15-13-16)30(26,27)29-20-11-7-6-10-19(20)23(28-2)21(24)22(25)17-8-4-3-5-9-17/h3-15,21,23H,1-2H3/t21-,23+/m0/s1