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

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C16H12N2O8S MolecularWeight: 392.34008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C(=O)O)/SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O8S/c1-26-13-7-9(6-12(15(13)19)18(24)25)8-14(16(20)21)27-11-4-2-10(3-5-11)17(22)23/h2-8,19H,1H3,(H,20,21)/b14-8+