(2,3,4,5,6-pentamethylphenyl)methyl 4-(4-nitrophenyl)sulfonyloxycyclohexane-1-carboxylate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(4-nitrophenyl)sulfonyloxycyclohexane-1-carboxylate Openeye Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(4-nitrophenyl)sulfonyloxycyclohexanecarboxylate CAS Name: 4-(4-nitrophenyl)sulfonyloxy-1-cyclohexanecarboxylic acid (2,3,4,5,6-pentamethylphenyl)methyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl 4-(4-nitrophenyl)sulfonyloxycyclohexane-1-carboxylate Traditional Name: 4-nosyloxycyclohexanecarboxylic acid (2,3,4,5,6-pentamethylbenzyl) ester Formula: C25H31NO7S MolecularWeight: 489.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)COC(=O)C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)COC(=O)C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H31NO7S/c1-15-16(2)18(4)24(19(5)17(15)3)14-32-25(27)20-6-10-22(11-7-20)33-34(30,31)23-12-8-21(9-13-23)26(28)29/h8-9,12-13,20,22H,6-7,10-11,14H2,1-5H3