2-dodecyl-2-(3-methylbutyl)-3-sulfo-butanedioic acid

Systemtic Name: 2-dodecyl-2-(3-methylbutyl)-3-sulfo-butanedioic acid Openeye Name: 2-dodecyl-2-isopentyl-3-sulfo-butanedioic acid CAS Name: 2-dodecyl-2-(3-methylbutyl)-3-sulfobutanedioic acid IUPAC Name: 2-dodecyl-2-(3-methylbutyl)-3-sulfobutanedioic acid Traditional Name: 2-isoamyl-2-lauryl-3-sulfo-succinic acid Formula: C21H40O7S MolecularWeight: 436.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCC(C)C)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H40O7S/c1-4-5-6-7-8-9-10-11-12-13-15-21(20(24)25,16-14-17(2)3)18(19(22)23)29(26,27)28/h17-18H,4-16H2,1-3H3,(H,22,23)(H,24,25)(H,26,27,28)