3,5-diethyl-2,6-dimethyl-heptane-4-sulfonic acid

Systemtic Name: 3,5-diethyl-2,6-dimethyl-heptane-4-sulfonic acid Openeye Name: 3,5-diethyl-2,6-dimethyl-heptane-4-sulfonic acid CAS Name: 3,5-diethyl-2,6-dimethyl-4-heptanesulfonic acid IUPAC Name: 3,5-diethyl-2,6-dimethylheptane-4-sulfonic acid Traditional Name: 3,5-diethyl-2,6-dimethyl-heptane-4-sulfonic acid Formula: C13H28O3S MolecularWeight: 264.42462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28O3S/c1-7-11(9(3)4)13(17(14,15)16)12(8-2)10(5)6/h9-13H,7-8H2,1-6H3,(H,14,15,16)