2-(4-acetyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid

Systemtic Name: 2-(4-acetyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid Openeye Name: 2-(4-acetoxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-(4-acetyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(4-acetyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-(4-acetoxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(CSC2=CC=CC=C2[N+](=O)[O-])(C(=O)O)O

InChI

InChI=1S/C17H15NO7S/c1-11(19)25-13-8-6-12(7-9-13)17(22,16(20)21)10-26-15-5-3-2-4-14(15)18(23)24/h2-9,22H,10H2,1H3,(H,20,21)