2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C18H19ClN2O9S MolecularWeight: 474.86946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)Cl

InChI

InChI=1S/C18H19ClN2O9S/c1-10-13(19)6-11(7-15(10)21(24)25)31(26,27)20-14-9-17(30-5-4-28-2)16(29-3)8-12(14)18(22)23/h6-9,20H,4-5H2,1-3H3,(H,22,23)