1-phenylethyl 4-nitrobenzenesulfonate

Systemtic Name: 1-phenylethyl 4-nitrobenzenesulfonate Openeye Name: 1-phenylethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-nitrobenzenesulfonate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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