2-phenoxyethyl 3-nitrobenzenesulfonate

Systemtic Name: 2-phenoxyethyl 3-nitrobenzenesulfonate Openeye Name: 2-phenoxyethyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid 2-phenoxyethyl ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S/c16-15(17)12-5-4-8-14(11-12)22(18,19)21-10-9-20-13-6-2-1-3-7-13/h1-8,11H,9-10H2