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

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzoic acid Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C17H18N2O10S MolecularWeight: 442.39722

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C17H18N2O10S/c1-27-5-6-29-16-9-12(11(17(21)22)8-15(16)28-2)18-30(25,26)10-3-4-14(20)13(7-10)19(23)24/h3-4,7-9,18,20H,5-6H2,1-2H3,(H,21,22)