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

Systemtic Name: (E)-3-(3-nitro-4-oxidanyl-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-(4-nitrophenyl)sulfanyl-prop-2-enoic acid CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-[(4-nitrophenyl)thio]-2-propenoic acid IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-(4-nitrophenyl)sulfanylprop-2-enoic acid Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-[(4-nitrophenyl)thio]acrylic acid Formula: C15H10N2O7S MolecularWeight: 362.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O7S/c18-13-6-1-9(7-12(13)17(23)24)8-14(15(19)20)25-11-4-2-10(3-5-11)16(21)22/h1-8,18H,(H,19,20)/b14-8+