prop-2-enyl 3-nitrobenzenesulfonate

Systemtic Name: prop-2-enyl 3-nitrobenzenesulfonate Openeye Name: allyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid allyl ester Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5S/c1-2-6-15-16(13,14)9-5-3-4-8(7-9)10(11)12/h2-5,7H,1,6H2