(4-nitro-2-prop-2-enyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-nitro-2-prop-2-enyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-allyl-4-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-nitro-2-prop-2-enylphenyl) ester IUPAC Name: (4-nitro-2-prop-2-enylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-allyl-4-nitro-phenyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5S/c1-3-4-13-11-14(17(18)19)7-10-16(13)22-23(20,21)15-8-5-12(2)6-9-15/h3,5-11H,1,4H2,2H3