3-[4-(4-chloranyl-3-nitro-phenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(4-chloranyl-3-nitro-phenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[4-(4-chloro-3-nitro-phenyl)sulfonylimino-1-oxo-2-naphthyl]sulfanyl]propanoic acid CAS Name: 3-[[4-(4-chloro-3-nitrophenyl)sulfonylimino-1-oxo-2-naphthalenyl]thio]propanoic acid IUPAC Name: 3-[4-(4-chloro-3-nitrophenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-(4-chloro-3-nitro-phenyl)sulfonylimino-1-keto-2-naphthyl]thio]propionic acid Formula: C19H13ClN2O7S2 MolecularWeight: 480.89872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C(C2=O)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C(C2=O)SCCC(=O)O

InChI

InChI=1S/C19H13ClN2O7S2/c20-14-6-5-11(9-16(14)22(26)27)31(28,29)21-15-10-17(30-8-7-18(23)24)19(25)13-4-2-1-3-12(13)15/h1-6,9-10H,7-8H2,(H,23,24)