(4-nitrophenyl) octane-1-sulfonate

Systemtic Name: (4-nitrophenyl) octane-1-sulfonate Openeye Name: (4-nitrophenyl) octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: (4-nitrophenyl) octane-1-sulfonate Traditional Name: octane-1-sulfonic acid (4-nitrophenyl) ester Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21NO5S/c1-2-3-4-5-6-7-12-21(18,19)20-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3