disodium 2-butyl-6-(5-butyl-6-oxidanyl-6-sulfonato-cyclohexa-2,4-dien-1-yl)benzenesulfonate

Systemtic Name: disodium 2-butyl-6-(5-butyl-6-oxidanyl-6-sulfonato-cyclohexa-2,4-dien-1-yl)benzenesulfonate Openeye Name: disodium 2-butyl-6-(5-butyl-6-hydroxy-6-sulfonato-cyclohexa-2,4-dien-1-yl)benzenesulfonate CAS Name: disodium 2-butyl-6-(5-butyl-6-hydroxy-6-sulfonato-1-cyclohexa-2,4-dienyl)benzenesulfonate IUPAC Name: disodium 2-butyl-6-(5-butyl-6-hydroxy-6-sulfonatocyclohexa-2,4-dien-1-yl)benzenesulfonate Traditional Name: disodium 2-butyl-6-(5-butyl-6-hydroxy-6-sulfonato-cyclohexa-2,4-dien-1-yl)besylate Formula: C20H26Na2O7S2 MolecularWeight: 488.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2C=CC=C(C2(O)S(=O)(=O)[O-])CCCC.[Na+].[Na+]

Isomeric SMILES

CCCCC1=CC=CC(=C1S(=O)(=O)[O-])C2C=CC=C(C2(O)S(=O)(=O)[O-])CCCC.[Na+].[Na+]

InChI

InChI=1S/C20H28O7S2.2Na/c1-3-5-9-15-10-7-13-17(19(15)28(22,23)24)18-14-8-12-16(11-6-4-2)20(18,21)29(25,26)27;;/h7-8,10,12-14,18,21H,3-6,9,11H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2