2-[4-(3-nitrophenyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(3-nitrophenyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(3-nitrophenyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(3-nitrophenyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(3-nitrophenyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(3-nitrophenyl)phenyl]thio]acetic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c16-14(17)9-20-13-6-4-10(5-7-13)11-2-1-3-12(8-11)15(18)19/h1-8H,9H2,(H,16,17)