2-methylheptane-1-sulfonic acid

Systemtic Name: 2-methylheptane-1-sulfonic acid Openeye Name: 2-methylheptane-1-sulfonic acid CAS Name: 2-methyl-1-heptanesulfonic acid IUPAC Name: 2-methylheptane-1-sulfonic acid Traditional Name: 2-methylheptane-1-sulfonic acid Formula: C8H18O3S MolecularWeight: 194.29172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CS(=O)(=O)O

Isomeric SMILES

CCCCCC(C)CS(=O)(=O)O

InChI

InChI=1S/C8H18O3S/c1-3-4-5-6-8(2)7-12(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)