potassium 2,3-bis(5-ethylheptan-2-yl)-2-sulfo-butanedioate

Systemtic Name: potassium 2,3-bis(5-ethylheptan-2-yl)-2-sulfo-butanedioate Openeye Name: potassium 2,3-bis(4-ethyl-1-methyl-hexyl)-2-sulfo-butanedioate CAS Name: potassium 2,3-bis(5-ethylheptan-2-yl)-2-sulfobutanedioate IUPAC Name: potassium 2,3-bis(5-ethylheptan-2-yl)-2-sulfobutanedioate Traditional Name: potassium 2,3-bis(4-ethyl-1-methyl-hexyl)-2-sulfo-succinate Formula: C22H40KO7S- MolecularWeight: 487.7121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CC)(C(=O)[O-])S(=O)(=O)O.[K+]

Isomeric SMILES

CCC(CC)CCC(C)C(C(=O)[O-])C(C(C)CCC(CC)CC)(C(=O)[O-])S(=O)(=O)O.[K+]

InChI

InChI=1S/C22H42O7S.K/c1-7-17(8-2)13-11-15(5)19(20(23)24)22(21(25)26,30(27,28)29)16(6)12-14-18(9-3)10-4;/h15-19H,7-14H2,1-6H3,(H,23,24)(H,25,26)(H,27,28,29);/q;+1/p-2