2-(2-heptylundecyl)-2-sulfo-butanedioate

Systemtic Name: 2-(2-heptylundecyl)-2-sulfo-butanedioate Openeye Name: 2-(2-heptylundecyl)-2-sulfo-butanedioate CAS Name: 2-(2-heptylundecyl)-2-sulfobutanedioate IUPAC Name: 2-(2-heptylundecyl)-2-sulfobutanedioate Traditional Name: 2-(2-heptylundecyl)-2-sulfo-succinate Formula: C22H40O7S-2 MolecularWeight: 448.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)CC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C22H42O7S/c1-3-5-7-9-10-12-14-16-19(15-13-11-8-6-4-2)17-22(21(25)26,18-20(23)24)30(27,28)29/h19H,3-18H2,1-2H3,(H,23,24)(H,25,26)(H,27,28,29)/p-2