2-(2-nitro-5-phenylsulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-(2-nitro-5-phenylsulfanyl-phenyl)ethanoic acid Openeye Name: 2-(2-nitro-5-phenylsulfanyl-phenyl)acetic acid CAS Name: 2-[2-nitro-5-(phenylthio)phenyl]acetic acid IUPAC Name: 2-(2-nitro-5-phenylsulfanylphenyl)acetic acid Traditional Name: 2-[2-nitro-5-(phenylthio)phenyl]acetic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

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