(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid

Systemtic Name: (E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C16H12BrNO6S MolecularWeight: 426.23858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6S/c1-24-14-8-12(17)9(6-13(14)19)7-15(16(20)21)25-11-4-2-10(3-5-11)18(22)23/h2-8,19H,1H3,(H,20,21)/b15-7+