3-[(3-methyl-2-nitro-phenyl)methoxy]propyl methanesulfonate

Systemtic Name: 3-[(3-methyl-2-nitro-phenyl)methoxy]propyl methanesulfonate Openeye Name: 3-[(3-methyl-2-nitro-phenyl)methoxy]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(3-methyl-2-nitrophenyl)methoxy]propyl ester IUPAC Name: 3-[(3-methyl-2-nitrophenyl)methoxy]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(3-methyl-2-nitro-benzyl)oxypropyl ester Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCOS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCOS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO6S/c1-10-5-3-6-11(12(10)13(14)15)9-18-7-4-8-19-20(2,16)17/h3,5-6H,4,7-9H2,1-2H3