2-(3-ethyloctan-3-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2-(3-ethyloctan-3-yl)-2-sulfo-butanedioic acid Openeye Name: 2-(1,1-diethylhexyl)-2-sulfo-butanedioic acid CAS Name: 2-(3-ethyloctan-3-yl)-2-sulfobutanedioic acid IUPAC Name: 2-(3-ethyloctan-3-yl)-2-sulfobutanedioic acid Traditional Name: 2-(1,1-diethylhexyl)-2-sulfo-succinic acid Formula: C14H26O7S MolecularWeight: 338.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)(CC)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H26O7S/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)