2-sulfo-2-(3,5,5-trimethylhexyl)butanedioic acid

Systemtic Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioic acid Openeye Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioic acid CAS Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioic acid IUPAC Name: 2-sulfo-2-(3,5,5-trimethylhexyl)butanedioic acid Traditional Name: 2-sulfo-2-(3,5,5-trimethylhexyl)succinic acid Formula: C13H24O7S MolecularWeight: 324.39046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC(=O)O)(C(=O)O)S(=O)(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCC(CC(=O)O)(C(=O)O)S(=O)(=O)O)CC(C)(C)C

InChI

InChI=1S/C13H24O7S/c1-9(7-12(2,3)4)5-6-13(11(16)17,8-10(14)15)21(18,19)20/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17)(H,18,19,20)