propan-2-yl 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: propan-2-yl 4-methyl-3-nitro-benzenesulfonate Openeye Name: isopropyl 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid isopropyl ester Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C10H13NO5S/c1-7(2)16-17(14,15)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3