(2-methoxy-4-prop-2-enyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (4-allyl-2-methoxy-phenyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-3-6-12-9-10-14(15(11-12)22-2)23-24(20,21)16-8-5-4-7-13(16)17(18)19/h3-5,7-11H,1,6H2,2H3