2-butanoylsulfanyl-2-[4-(2-nitrophenyl)phenyl]ethanoic acid

Systemtic Name: 2-butanoylsulfanyl-2-[4-(2-nitrophenyl)phenyl]ethanoic acid Openeye Name: 2-butanoylsulfanyl-2-[4-(2-nitrophenyl)phenyl]acetic acid CAS Name: 2-[4-(2-nitrophenyl)phenyl]-2-(1-oxobutylthio)acetic acid IUPAC Name: 2-butanoylsulfanyl-2-[4-(2-nitrophenyl)phenyl]acetic acid Traditional Name: 2-(butyrylthio)-2-[4-(2-nitrophenyl)phenyl]acetic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-2-5-16(20)25-17(18(21)22)13-10-8-12(9-11-13)14-6-3-4-7-15(14)19(23)24/h3-4,6-11,17H,2,5H2,1H3,(H,21,22)