1-(3-nitro-4-phenylmethoxy-phenyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(3-nitro-4-phenylmethoxy-phenyl)ethyl 4-methylbenzenesulfonate Openeye Name: 1-(4-benzyloxy-3-nitro-phenyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(3-nitro-4-phenylmethoxyphenyl)ethyl ester IUPAC Name: 1-(3-nitro-4-phenylmethoxyphenyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(4-benzoxy-3-nitro-phenyl)ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6S/c1-16-8-11-20(12-9-16)30(26,27)29-17(2)19-10-13-22(21(14-19)23(24)25)28-15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3