2-(2-ethylhexyl)-2-sulfo-butanedioic acid

Systemtic Name: 2-(2-ethylhexyl)-2-sulfo-butanedioic acid Openeye Name: 2-(2-ethylhexyl)-2-sulfo-butanedioic acid CAS Name: 2-(2-ethylhexyl)-2-sulfobutanedioic acid IUPAC Name: 2-(2-ethylhexyl)-2-sulfobutanedioic acid Traditional Name: 2-(2-ethylhexyl)-2-sulfo-succinic acid Formula: C12H22O7S MolecularWeight: 310.36388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O7S/c1-3-5-6-9(4-2)7-12(11(15)16,8-10(13)14)20(17,18)19/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)