4-(2-dimethylaminoethyl)heptadecane-3-sulfonic acid

Systemtic Name: 4-(2-dimethylaminoethyl)heptadecane-3-sulfonic acid Openeye Name: 4-(2-dimethylaminoethyl)heptadecane-3-sulfonic acid CAS Name: 4-(2-dimethylaminoethyl)-3-heptadecanesulfonic acid IUPAC Name: 4-(2-dimethylaminoethyl)heptadecane-3-sulfonic acid Traditional Name: 4-(2-dimethylaminoethyl)heptadecane-3-sulfonic acid Formula: C21H45NO3S MolecularWeight: 391.6519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCN(C)C)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(CCN(C)C)C(CC)S(=O)(=O)O

InChI

InChI=1S/C21H45NO3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-20(18-19-22(3)4)21(6-2)26(23,24)25/h20-21H,5-19H2,1-4H3,(H,23,24,25)