disodium 2-octadecyl-2-sulfo-butanedioic acid

Systemtic Name: disodium 2-octadecyl-2-sulfo-butanedioic acid Openeye Name: disodium 2-octadecyl-2-sulfo-butanedioic acid CAS Name: disodium 2-octadecyl-2-sulfobutanedioic acid IUPAC Name: disodium 2-octadecyl-2-sulfobutanedioic acid Traditional Name: disodium 2-stearyl-2-sulfo-succinic acid Formula: C22H42Na2O7S+2 MolecularWeight: 496.60922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(25)26,19-20(23)24)30(27,28)29;;/h2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1