[2-[2,3-bis(bromanyl)-3-(4-nitrophenyl)propanoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2,3-bis(bromanyl)-3-(4-nitrophenyl)propanoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[2,3-dibromo-3-(4-nitrophenyl)propanoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2,3-dibromo-3-(4-nitrophenyl)-1-oxopropyl]phenyl] ester IUPAC Name: [2-[2,3-dibromo-3-(4-nitrophenyl)propanoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2,3-dibromo-3-(4-nitrophenyl)propanoyl]phenyl] ester Formula: C22H17Br2NO6S MolecularWeight: 583.24648

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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)[N+](=O)[O-])Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C(C(C3=CC=C(C=C3)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C22H17Br2NO6S/c1-14-6-12-17(13-7-14)32(29,30)31-19-5-3-2-4-18(19)22(26)21(24)20(23)15-8-10-16(11-9-15)25(27)28/h2-13,20-21H,1H3