disodium 2,3-dibutyl-6-oxidanidyloxysulfonyl-5-phenyl-benzenesulfonate

Systemtic Name: disodium 2,3-dibutyl-6-oxidanidyloxysulfonyl-5-phenyl-benzenesulfonate Openeye Name: disodium 2,3-dibutyl-6-oxidooxysulfonyl-5-phenyl-benzenesulfonate CAS Name: disodium 2,3-dibutyl-6-oxidooxysulfonyl-5-phenylbenzenesulfonate IUPAC Name: disodium 2,3-dibutyl-6-oxidooxysulfonyl-5-phenylbenzenesulfonate Traditional Name: disodium 2,3-dibutyl-6-oxidooxysulfonyl-5-phenyl-besylate Formula: C20H24Na2O7S2 MolecularWeight: 486.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)O[O-])S(=O)(=O)[O-])CCCC.[Na+].[Na+]

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)O[O-])S(=O)(=O)[O-])CCCC.[Na+].[Na+]

InChI

InChI=1S/C20H26O7S2.2Na/c1-3-5-10-16-14-18(15-11-8-7-9-12-15)20(29(25,26)27-21)19(28(22,23)24)17(16)13-6-4-2;;/h7-9,11-12,14,21H,3-6,10,13H2,1-2H3,(H,22,23,24);;/q;2*+1/p-2