5-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]isophthalic acid Formula: C15H11ClN2O8S MolecularWeight: 414.77444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C15H11ClN2O8S/c1-7-12(16)5-11(6-13(7)18(23)24)27(25,26)17-10-3-8(14(19)20)2-9(4-10)15(21)22/h2-6,17H,1H3,(H,19,20)(H,21,22)