sodium 5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid

Systemtic Name: sodium 5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid Openeye Name: sodium 5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid CAS Name: sodium 5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid IUPAC Name: sodium 5-(4-sulfophenoxy)benzene-1,3-dicarboxylic acid Traditional Name: sodium 5-(4-sulfophenoxy)isophthalic acid Formula: C14H10NaO8S+ MolecularWeight: 361.27917

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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