(2-methoxy-4-prop-2-enyl-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)CC=C)OC

Isomeric SMILES

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

InChI

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