[2-[(2R,3S)-2,3-bis(bromanyl)-3-(4-propan-2-ylphenyl)propanoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2R,3S)-2,3-bis(bromanyl)-3-(4-propan-2-ylphenyl)propanoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(2R,3S)-2,3-dibromo-3-(4-isopropylphenyl)propanoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2R,3S)-2,3-dibromo-1-oxo-3-(4-propan-2-ylphenyl)propyl]phenyl] ester IUPAC Name: [2-[(2R,3S)-2,3-dibromo-3-(4-propan-2-ylphenyl)propanoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(2R,3S)-2,3-dibromo-3-p-cumenyl-propanoyl]phenyl] ester Formula: C25H24Br2O4S MolecularWeight: 580.32866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)[C@H]([C@H](C3=CC=C(C=C3)C(C)C)Br)Br

InChI

InChI=1S/C25H24Br2O4S/c1-16(2)18-10-12-19(13-11-18)23(26)24(27)25(28)21-6-4-5-7-22(21)31-32(29,30)20-14-8-17(3)9-15-20/h4-16,23-24H,1-3H3/t23-,24-/m0/s1