sodium 4-(phenylcarbonyl)-3-phenylmethoxy-5-sulfamoyl-benzoate

Systemtic Name: sodium 4-(phenylcarbonyl)-3-phenylmethoxy-5-sulfamoyl-benzoate Openeye Name: sodium 4-benzoyl-3-benzyloxy-5-sulfamoyl-benzoate CAS Name: sodium 4-benzoyl-3-phenylmethoxy-5-sulfamoylbenzoate IUPAC Name: sodium 4-benzoyl-3-phenylmethoxy-5-sulfamoylbenzoate Traditional Name: sodium 3-benzoxy-4-benzoyl-5-sulfamoyl-benzoate Formula: C21H16NNaO6S MolecularWeight: 433.40961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H17NO6S.Na/c22-29(26,27)18-12-16(21(24)25)11-17(28-13-14-7-3-1-4-8-14)19(18)20(23)15-9-5-2-6-10-15;/h1-12H,13H2,(H,24,25)(H2,22,26,27);/q;+1/p-1