(E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoate

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoate Openeye Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoate CAS Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoate IUPAC Name: (E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoate Traditional Name: (E)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-[(4-nitrophenyl)thio]acrylate Formula: C16H11ClNO6S- MolecularWeight: 380.77964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C(=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C(=O)[O-])/SC2=CC=C(C=C2)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C16H12ClNO6S/c1-24-13-7-9(6-12(17)15(13)19)8-14(16(20)21)25-11-4-2-10(3-5-11)18(22)23/h2-8,19H,1H3,(H,20,21)/p-1/b14-8+