sodium 5-(2-sulfobenzene-4-id-1-yl)oxybenzene-1,3-dicarboxylate

Systemtic Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxybenzene-1,3-dicarboxylate Openeye Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxybenzene-1,3-dicarboxylate CAS Name: sodium 5-[(2-sulfo-1-benzene-4-idyl)oxy]benzene-1,3-dicarboxylate IUPAC Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxybenzene-1,3-dicarboxylate Traditional Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxyisophthalate Formula: C14H7NaO8S-2 MolecularWeight: 358.25535

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Descriptors Computed from Structure

Canonical SMILES:

C1=[C-]C=C(C(=C1)OC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=[C-]C=C(C(=C1)OC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H9O8S.Na/c15-13(16)8-5-9(14(17)18)7-10(6-8)22-11-3-1-2-4-12(11)23(19,20)21;/h1,3-7H,(H,15,16)(H,17,18)(H,19,20,21);/q-1;+1/p-2