3-(2-ethylhexylamino)-1-methoxy-1-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 3-(2-ethylhexylamino)-1-methoxy-1-oxidanylidene-propane-2-sulfonic acid Openeye Name: 3-(2-ethylhexylamino)-1-methoxy-1-oxo-propane-2-sulfonic acid CAS Name: 3-(2-ethylhexylamino)-1-methoxy-1-oxo-2-propanesulfonic acid IUPAC Name: 3-(2-ethylhexylamino)-1-methoxy-1-oxopropane-2-sulfonic acid Traditional Name: 3-(2-ethylhexylamino)-1-keto-1-methoxy-propane-2-sulfonic acid Formula: C12H25NO5S MolecularWeight: 295.3956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CNCC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C12H25NO5S/c1-4-6-7-10(5-2)8-13-9-11(12(14)18-3)19(15,16)17/h10-11,13H,4-9H2,1-3H3,(H,15,16,17)