3-decoxycarbonyl-4,4-dimethyl-3-sulfo-hexanoic acid

Systemtic Name: 3-decoxycarbonyl-4,4-dimethyl-3-sulfo-hexanoic acid Openeye Name: 3-decoxycarbonyl-4,4-dimethyl-3-sulfo-hexanoic acid CAS Name: 3-[decoxy(oxo)methyl]-4,4-dimethyl-3-sulfohexanoic acid IUPAC Name: 3-decoxycarbonyl-4,4-dimethyl-3-sulfohexanoic acid Traditional Name: 3-decoxycarbonyl-4,4-dimethyl-3-sulfo-hexanoic acid Formula: C19H36O7S MolecularWeight: 408.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC(=O)O)(C(C)(C)CC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CC(=O)O)(C(C)(C)CC)S(=O)(=O)O

InChI

InChI=1S/C19H36O7S/c1-5-7-8-9-10-11-12-13-14-26-17(22)19(15-16(20)21,27(23,24)25)18(3,4)6-2/h5-15H2,1-4H3,(H,20,21)(H,23,24,25)