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

Systemtic Name: 3-[4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylpropanoate Openeye Name: 3-[[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]sulfanyl]propanoate CAS Name: 3-[[4-[(4-chloro-3-nitrophenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]propanoate IUPAC Name: 3-[4-[(4-chloro-3-nitrophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]propionate Formula: C19H14ClN2O7S2- MolecularWeight: 481.90666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCCC(=O)[O-])NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O7S2/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/h1-6,9-10,21,25H,7-8H2,(H,23,24)/p-1