[4-[2-(4-methanoylphenoxy)ethyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(4-methanoylphenoxy)ethyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(4-formylphenoxy)ethyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[2-(4-formylphenoxy)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-formylphenoxy)ethyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(4-formylphenoxy)ethyl]phenyl] ester Formula: C21H17NO7S MolecularWeight: 427.42718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)CCOC3=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)CCOC3=CC=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO7S/c23-15-17-6-8-19(9-7-17)28-13-12-16-4-10-20(11-5-16)29-30(26,27)21-3-1-2-18(14-21)22(24)25/h1-11,14-15H,12-13H2