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

Systemtic Name: [2-methyl-2-[2-(4-methyl-2-nitro-phenoxy)phenyl]propyl] 4-butan-2-ylbenzenesulfonate Openeye Name: [2-methyl-2-[2-(4-methyl-2-nitro-phenoxy)phenyl]propyl] 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid [2-methyl-2-[2-(4-methyl-2-nitrophenoxy)phenyl]propyl] ester IUPAC Name: [2-methyl-2-[2-(4-methyl-2-nitrophenoxy)phenyl]propyl] 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid [2-methyl-2-[2-(4-methyl-2-nitro-phenoxy)phenyl]propyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2OC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2OC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31NO6S/c1-6-20(3)21-12-14-22(15-13-21)35(31,32)33-18-27(4,5)23-9-7-8-10-25(23)34-26-16-11-19(2)17-24(26)28(29)30/h7-17,20H,6,18H2,1-5H3