disodium 2-decyl-6-(2-sulfonatophenoxy)benzenesulfonate

Systemtic Name: disodium 2-decyl-6-(2-sulfonatophenoxy)benzenesulfonate Openeye Name: disodium 2-decyl-6-(2-sulfonatophenoxy)benzenesulfonate CAS Name: disodium 2-decyl-6-(2-sulfonatophenoxy)benzenesulfonate IUPAC Name: disodium 2-decyl-6-(2-sulfonatophenoxy)benzenesulfonate Traditional Name: disodium 2-decyl-6-(2-sulfonatophenoxy)besylate Formula: C22H28Na2O7S2 MolecularWeight: 514.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC=C2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H30O7S2.2Na/c1-2-3-4-5-6-7-8-9-13-18-14-12-16-20(22(18)31(26,27)28)29-19-15-10-11-17-21(19)30(23,24)25;;/h10-12,14-17H,2-9,13H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2