pentyl (4-nitrophenyl)methanesulfonate

Systemtic Name: pentyl (4-nitrophenyl)methanesulfonate Openeye Name: pentyl (4-nitrophenyl)methanesulfonate CAS Name: (4-nitrophenyl)methanesulfonic acid pentyl ester IUPAC Name: pentyl (4-nitrophenyl)methanesulfonate Traditional Name: (4-nitrophenyl)methanesulfonic acid amyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5S/c1-2-3-4-9-18-19(16,17)10-11-5-7-12(8-6-11)13(14)15/h5-8H,2-4,9-10H2,1H3