[4-methyl-2-[(E)-1-nitroso-2-(oxidanylamino)dodec-1-enyl]phenyl] benzoate

Systemtic Name: [4-methyl-2-[(E)-1-nitroso-2-(oxidanylamino)dodec-1-enyl]phenyl] benzoate Openeye Name: [2-[(E)-2-(hydroxyamino)-1-nitroso-dodec-1-enyl]-4-methyl-phenyl] benzoate CAS Name: benzoic acid [2-[(E)-2-(hydroxyamino)-1-nitrosododec-1-enyl]-4-methylphenyl] ester IUPAC Name: [2-[(E)-2-(hydroxyamino)-1-nitrosododec-1-enyl]-4-methylphenyl] benzoate Traditional Name: benzoic acid [2-[(E)-2-(hydroxyamino)-1-nitroso-dodec-1-enyl]-4-methyl-phenyl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=C(C1=C(C=CC(=C1)C)OC(=O)C2=CC=CC=C2)N=O)NO

Isomeric SMILES

CCCCCCCCCC/C(=C(/C1=C(C=CC(=C1)C)OC(=O)C2=CC=CC=C2)\N=O)/NO

InChI

InChI=1S/C26H34N2O4/c1-3-4-5-6-7-8-9-13-16-23(27-30)25(28-31)22-19-20(2)17-18-24(22)32-26(29)21-14-11-10-12-15-21/h10-12,14-15,17-19,27,30H,3-9,13,16H2,1-2H3/b25-23+