2,4-bis(4-methylphenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 2,4-bis(4-methylphenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 2,4-bis(4-methylphenoxy)-5-sulfamoyl-benzoic acid CAS Name: 2,4-bis(4-methylphenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 2,4-bis(4-methylphenoxy)-5-sulfamoylbenzoic acid Traditional Name: 2,4-bis(4-methylphenoxy)-5-sulfamoyl-benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H19NO6S/c1-13-3-7-15(8-4-13)27-18-12-19(28-16-9-5-14(2)6-10-16)20(29(22,25)26)11-17(18)21(23)24/h3-12H,1-2H3,(H,23,24)(H2,22,25,26)