2,2-dihexyl-3-sulfo-butanedioic acid

Systemtic Name: 2,2-dihexyl-3-sulfo-butanedioic acid Openeye Name: 2,2-dihexyl-3-sulfo-butanedioic acid CAS Name: 2,2-dihexyl-3-sulfobutanedioic acid IUPAC Name: 2,2-dihexyl-3-sulfobutanedioic acid Traditional Name: 2,2-dihexyl-3-sulfo-succinic acid Formula: C16H30O7S MolecularWeight: 366.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H30O7S/c1-3-5-7-9-11-16(15(19)20,12-10-8-6-4-2)13(14(17)18)24(21,22)23/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)(H,21,22,23)