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

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-(4-propanoyloxyphenyl)propanoic acid Openeye Name: 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoic acid CAS Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-[4-(1-oxopropoxy)phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-(2-nitrophenyl)sulfanyl-2-(4-propanoyloxyphenyl)propanoic acid Traditional Name: 2-hydroxy-3-[(2-nitrophenyl)thio]-2-(4-propionyloxyphenyl)propionic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7S/c1-2-16(20)26-13-9-7-12(8-10-13)18(23,17(21)22)11-27-15-6-4-3-5-14(15)19(24)25/h3-10,23H,2,11H2,1H3,(H,21,22)