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

Systemtic Name: 2-[4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoic acid CAS Name: 2-[[4-[(4-chloro-3-nitrophenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoic acid IUPAC Name: 2-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionic acid Formula: C19H15ClN2O7S2 MolecularWeight: 482.9146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C19H15ClN2O7S2/c1-10(19(24)25)30-17-9-15(12-4-2-3-5-13(12)18(17)23)21-31(28,29)11-6-7-14(20)16(8-11)22(26)27/h2-10,21,23H,1H3,(H,24,25)