(2-methoxy-4-prop-2-enyl-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (4-allyl-2-methoxy-phenyl) ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO6S/c1-5-6-14-7-8-16(17(10-14)24-4)25-26(22,23)18-11-15(19(20)21)9-12(2)13(18)3/h5,7-11H,1,6H2,2-4H3