methyl 4-[4-[(E)-2-nitroethenyl]phenoxy]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[4-[(E)-2-nitroethenyl]phenoxy]sulfonyl-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-4-[4-[(E)-2-nitrovinyl]phenoxy]sulfonyl-benzoate CAS Name: 2-hydroxy-4-[4-[(E)-2-nitroethenyl]phenoxy]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[4-[(E)-2-nitroethenyl]phenoxy]sulfonylbenzoate Traditional Name: 2-hydroxy-4-[4-[(E)-2-nitrovinyl]phenoxy]sulfonyl-benzoic acid methyl ester Formula: C16H13NO8S MolecularWeight: 379.34132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO8S/c1-24-16(19)14-7-6-13(10-15(14)18)26(22,23)25-12-4-2-11(3-5-12)8-9-17(20)21/h2-10,18H,1H3/b9-8+