hexyl 2-nitrobenzenesulfonate

Systemtic Name: hexyl 2-nitrobenzenesulfonate Openeye Name: hexyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid hexyl ester IUPAC Name: hexyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid hexyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

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