dipotassium 2-[2,3-bis(oxidanyl)propoxy]-5-dodecyl-benzene-1,3-disulfonate

Systemtic Name: dipotassium 2-[2,3-bis(oxidanyl)propoxy]-5-dodecyl-benzene-1,3-disulfonate Openeye Name: dipotassium 2-(2,3-dihydroxypropoxy)-5-dodecyl-benzene-1,3-disulfonate CAS Name: dipotassium 2-(2,3-dihydroxypropoxy)-5-dodecylbenzene-1,3-disulfonate IUPAC Name: dipotassium 2-(2,3-dihydroxypropoxy)-5-dodecylbenzene-1,3-disulfonate Traditional Name: dipotassium 2-glyceryloxy-5-lauryl-benzene-1,3-disulfonate Formula: C21H34K2O9S2 MolecularWeight: 572.81586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)[O-])OCC(CO)O)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C(=C1)S(=O)(=O)[O-])OCC(CO)O)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C21H36O9S2.2K/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-19(31(24,25)26)21(30-16-18(23)15-22)20(14-17)32(27,28)29;;/h13-14,18,22-23H,2-12,15-16H2,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2