1-phenylethyl 2-nitrobenzenesulfonate

Systemtic Name: 1-phenylethyl 2-nitrobenzenesulfonate Openeye Name: 1-phenylethyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid 1-phenylethyl ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13NO5S/c1-11(12-7-3-2-4-8-12)20-21(18,19)14-10-6-5-9-13(14)15(16)17/h2-11H,1H3