sodium 6,7-bis(phenylsulfonyloxy)naphthalene-2-sulfonate

Systemtic Name: sodium 6,7-bis(phenylsulfonyloxy)naphthalene-2-sulfonate Openeye Name: sodium 6,7-bis(benzenesulfonyloxy)naphthalene-2-sulfonate CAS Name: sodium 6,7-bis(benzenesulfonyloxy)-2-naphthalenesulfonate IUPAC Name: sodium 6,7-bis(benzenesulfonyloxy)naphthalene-2-sulfonate Traditional Name: sodium 6,7-dibesyloxynaphthalene-2-sulfonate Formula: C22H15NaO9S3 MolecularWeight: 542.53387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C=C(C=CC3=C2)S(=O)(=O)[O-])OS(=O)(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H16O9S3.Na/c23-32(24,25)20-12-11-16-14-21(30-33(26,27)18-7-3-1-4-8-18)22(15-17(16)13-20)31-34(28,29)19-9-5-2-6-10-19;/h1-15H,(H,23,24,25);/q;+1/p-1