(2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxy-butanoic acid

Systemtic Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxy-butanoic acid Openeye Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylene]-4-nitrooxy-butanoic acid CAS Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxybutanoic acid IUPAC Name: (2Z)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-nitrooxybutanoic acid Traditional Name: (Z)-3-(4-chlorophenyl)-3-(4-mesylphenyl)-2-(2-nitrooxyethyl)acrylic acid Formula: C18H16ClNO7S MolecularWeight: 425.84014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CCO[N+](=O)[O-])/C(=O)O)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO7S/c1-28(25,26)15-8-4-13(5-9-15)17(12-2-6-14(19)7-3-12)16(18(21)22)10-11-27-20(23)24/h2-9H,10-11H2,1H3,(H,21,22)/b17-16+