2-(2-methyloctan-2-yl)-2-sulfo-butanedioic acid

Systemtic Name: 2-(2-methyloctan-2-yl)-2-sulfo-butanedioic acid Openeye Name: 2-(1,1-dimethylheptyl)-2-sulfo-butanedioic acid CAS Name: 2-(2-methyloctan-2-yl)-2-sulfobutanedioic acid IUPAC Name: 2-(2-methyloctan-2-yl)-2-sulfobutanedioic acid Traditional Name: 2-(1,1-dimethylheptyl)-2-sulfo-succinic acid Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C)(C)C(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H24O7S/c1-4-5-6-7-8-12(2,3)13(11(16)17,9-10(14)15)21(18,19)20/h4-9H2,1-3H3,(H,14,15)(H,16,17)(H,18,19,20)