sodium 3,5-bis(phenoxycarbonyl)benzenesulfonate

Systemtic Name: sodium 3,5-bis(phenoxycarbonyl)benzenesulfonate Openeye Name: sodium 3,5-bis(phenoxycarbonyl)benzenesulfonate CAS Name: sodium 3,5-bis[oxo(phenoxy)methyl]benzenesulfonate IUPAC Name: sodium 3,5-bis(phenoxycarbonyl)benzenesulfonate Traditional Name: sodium 3,5-dicarbophenoxybesylate Formula: C20H13NaO7S MolecularWeight: 420.36779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)S(=O)(=O)[O-])C(=O)OC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)S(=O)(=O)[O-])C(=O)OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H14O7S.Na/c21-19(26-16-7-3-1-4-8-16)14-11-15(13-18(12-14)28(23,24)25)20(22)27-17-9-5-2-6-10-17;/h1-13H,(H,23,24,25);/q;+1/p-1