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

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

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7S/c1-10(17(22)23)29-18-19-15(11-2-6-13(7-3-11)20(24)25)16(28-18)12-4-8-14(9-5-12)21(26)27/h2-10H,1H3,(H,22,23)