sodium; 3-ethyloctane; 2-sulfobutanedioate

Systemtic Name: sodium; 3-ethyloctane; 2-sulfobutanedioate Openeye Name: sodium; 3-ethyloctane; 2-sulfobutanedioate CAS Name: sodium; 3-ethyloctane; 2-sulfobutanedioate IUPAC Name: sodium; 3-ethyloctane; 2-sulfobutanedioate Traditional Name: sodium; 3-ethyloctane; 2-sulfosuccinate Formula: C14H25NaO7S-2 MolecularWeight: 360.39887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21.C4H6O7S.Na/c1-4-7-8-9-10(5-2)6-3;5-3(6)1-2(4(7)8)12(9,10)11;/h4-9H2,1-3H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q-1;;+1/p-2