[2-[(4-methyl-2-nitro-phenyl)methyl]phenyl]methyl 4-butan-2-ylbenzenesulfonate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)methyl]phenyl]methyl 4-butan-2-ylbenzenesulfonate Openeye Name: [2-[(4-methyl-2-nitro-phenyl)methyl]phenyl]methyl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid [2-[(4-methyl-2-nitrophenyl)methyl]phenyl]methyl ester IUPAC Name: [2-[(4-methyl-2-nitrophenyl)methyl]phenyl]methyl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid [2-(4-methyl-2-nitro-benzyl)benzyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2CC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2CC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27NO5S/c1-4-19(3)20-11-13-24(14-12-20)32(29,30)31-17-23-8-6-5-7-21(23)16-22-10-9-18(2)15-25(22)26(27)28/h5-15,19H,4,16-17H2,1-3H3