nonyl (E)-3-[3-chloranyl-4-[(3-chloranyl-4-nitro-phenyl)sulfinylamino]phenyl]sulfonylprop-2-enoate

Systemtic Name: nonyl (E)-3-[3-chloranyl-4-[(3-chloranyl-4-nitro-phenyl)sulfinylamino]phenyl]sulfonylprop-2-enoate Openeye Name: nonyl (E)-3-[3-chloro-4-[(3-chloro-4-nitro-phenyl)sulfinylamino]phenyl]sulfonylprop-2-enoate CAS Name: (E)-3-[3-chloro-4-[(3-chloro-4-nitrophenyl)sulfinylamino]phenyl]sulfonyl-2-propenoic acid nonyl ester IUPAC Name: nonyl (E)-3-[3-chloro-4-[(3-chloro-4-nitrophenyl)sulfinylamino]phenyl]sulfonylprop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[(3-chloro-4-nitro-phenyl)sulfinylamino]phenyl]sulfonylacrylic acid nonyl ester Formula: C24H28Cl2N2O7S2 MolecularWeight: 591.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C=CS(=O)(=O)C1=CC(=C(C=C1)NS(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCCCCCCCCOC(=O)/C=C/S(=O)(=O)C1=CC(=C(C=C1)NS(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C24H28Cl2N2O7S2/c1-2-3-4-5-6-7-8-14-35-24(29)13-15-37(33,34)19-10-11-22(20(25)17-19)27-36(32)18-9-12-23(28(30)31)21(26)16-18/h9-13,15-17,27H,2-8,14H2,1H3/b15-13+