sodium 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate

Systemtic Name: sodium 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate Openeye Name: sodium 3-methoxy-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: sodium 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: sodium 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: sodium 3-methoxy-4-tosyloxy-besylate Formula: C14H13NaO7S2 MolecularWeight: 380.36859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C14H14O7S2.Na/c1-10-3-5-11(6-4-10)23(18,19)21-13-8-7-12(22(15,16)17)9-14(13)20-2;/h3-9H,1-2H3,(H,15,16,17);/q;+1/p-1