4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonate

Systemtic Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonate Openeye Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonate CAS Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonate IUPAC Name: 4-methoxy-2-[(2-nitrophenyl)methyl]benzenesulfonate Traditional Name: 4-methoxy-2-(2-nitrobenzyl)besylate Formula: C14H12NO6S- MolecularWeight: 322.31318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13NO6S/c1-21-12-6-7-14(22(18,19)20)11(9-12)8-10-4-2-3-5-13(10)15(16)17/h2-7,9H,8H2,1H3,(H,18,19,20)/p-1