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

Systemtic Name: 2-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4,5-bis(4-nitrophenyl)oxazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4,5-bis(4-nitrophenyl)-2-oxazolyl]thio]acetic acid IUPAC Name: 2-[[4,5-bis(4-nitrophenyl)-1,3-oxazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4,5-bis(4-nitrophenyl)oxazol-2-yl]thio]acetic acid Formula: C17H11N3O7S MolecularWeight: 401.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O7S/c21-14(22)9-28-17-18-15(10-1-5-12(6-2-10)19(23)24)16(27-17)11-3-7-13(8-4-11)20(25)26/h1-8H,9H2,(H,21,22)