sodium 2-(3-ethyloctan-3-yl)-2-sulfo-butanedioate

Systemtic Name: sodium 2-(3-ethyloctan-3-yl)-2-sulfo-butanedioate Openeye Name: sodium 2-(1,1-diethylhexyl)-2-sulfo-butanedioate CAS Name: sodium 2-(3-ethyloctan-3-yl)-2-sulfobutanedioate IUPAC Name: sodium 2-(3-ethyloctan-3-yl)-2-sulfobutanedioate Traditional Name: sodium 2-(1,1-diethylhexyl)-2-sulfo-succinate Formula: C14H24NaO7S- MolecularWeight: 359.39093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O7S.Na/c1-4-7-8-9-13(5-2,6-3)14(12(17)18,10-11(15)16)22(19,20)21;/h4-10H2,1-3H3,(H,15,16)(H,17,18)(H,19,20,21);/q;+1/p-2