(3-methanoyl-5-nitrosulfanyl-2-oxidanyl-phenyl)methyl 2-methylprop-2-enoate

Systemtic Name: (3-methanoyl-5-nitrosulfanyl-2-oxidanyl-phenyl)methyl 2-methylprop-2-enoate Openeye Name: (3-formyl-2-hydroxy-5-nitrosulfanyl-phenyl)methyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [3-formyl-2-hydroxy-5-(nitrothio)phenyl]methyl ester IUPAC Name: (3-formyl-2-hydroxy-5-nitrosulfanylphenyl)methyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [3-formyl-2-hydroxy-5-(nitrothio)benzyl] ester Formula: C12H11NO6S MolecularWeight: 297.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC1=C(C(=CC(=C1)S[N+](=O)[O-])C=O)O

Isomeric SMILES

CC(=C)C(=O)OCC1=C(C(=CC(=C1)S[N+](=O)[O-])C=O)O

InChI

InChI=1S/C12H11NO6S/c1-7(2)12(16)19-6-9-4-10(20-13(17)18)3-8(5-14)11(9)15/h3-5,15H,1,6H2,2H3