3-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[4,5-bis(4-nitrophenyl)oxazol-2-yl]sulfanylpropanoic acid CAS Name: 3-[[4,5-bis(4-nitrophenyl)-2-oxazolyl]thio]propanoic acid IUPAC Name: 3-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4,5-bis(4-nitrophenyl)oxazol-2-yl]thio]propionic acid Formula: C18H13N3O7S MolecularWeight: 415.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(OC(=N2)SCCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(OC(=N2)SCCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7S/c22-15(23)9-10-29-18-19-16(11-1-5-13(6-2-11)20(24)25)17(28-18)12-3-7-14(8-4-12)21(26)27/h1-8H,9-10H2,(H,22,23)