(2-methoxy-4-prop-2-enyl-phenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (4-allyl-2-methoxy-phenyl) ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-4-5-13-7-9-16(17(10-13)23-3)24-25(21,22)14-8-6-12(2)15(11-14)18(19)20/h4,6-11H,1,5H2,2-3H3