octyl 2-nitrobenzenesulfonate

Systemtic Name: octyl 2-nitrobenzenesulfonate Openeye Name: octyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid octyl ester IUPAC Name: octyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid octyl ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO5S/c1-2-3-4-5-6-9-12-20-21(18,19)14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3