(4-propan-2-ylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (4-isopropylphenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (4-isopropylbenzyl) ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO6S/c1-12(2)14-6-4-13(5-7-14)11-25-18(20)15-8-9-17(26(3,23)24)16(10-15)19(21)22/h4-10,12H,11H2,1-3H3