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

Systemtic Name: 2-(4-butanoyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid Openeye Name: 2-(4-butanoyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-[4-(1-oxobutoxy)phenyl]propanoic acid IUPAC Name: 2-(4-butanoyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-(4-butyryloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-2-5-17(21)27-14-10-8-13(9-11-14)19(24,18(22)23)12-28-16-7-4-3-6-15(16)20(25)26/h3-4,6-11,24H,2,5,12H2,1H3,(H,22,23)