sodium 4-(3,5-dicarboxyphenoxy)benzenesulfonate

Systemtic Name: sodium 4-(3,5-dicarboxyphenoxy)benzenesulfonate Openeye Name: sodium 4-(3,5-dicarboxyphenoxy)benzenesulfonate CAS Name: sodium 4-(3,5-dicarboxyphenoxy)benzenesulfonate IUPAC Name: sodium 4-(3,5-dicarboxyphenoxy)benzenesulfonate Traditional Name: sodium 4-(3,5-dicarboxyphenoxy)besylate Formula: C14H9NaO8S MolecularWeight: 360.27123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H10O8S.Na/c15-13(16)8-5-9(14(17)18)7-11(6-8)22-10-1-3-12(4-2-10)23(19,20)21;/h1-7H,(H,15,16)(H,17,18)(H,19,20,21);/q;+1/p-1