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3-cyanoheptadecane-1-sulfonic acid

3-cyanoheptadecane-1-sulfonic acid

Systemtic Name:3-cyanoheptadecane-1-sulfonic acid
Openeye Name:3-cyanoheptadecane-1-sulfonic acid
CAS Name:3-cyano-1-heptadecanesulfonic acid
IUPAC Name:3-cyanoheptadecane-1-sulfonic acid
Traditional Name:3-cyanoheptadecane-1-sulfonic acid
Formula: C18H35NO3S
MolecularWeight: 345.5404
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCS(=O)(=O)O)C#N


Isomeric SMILES

CCCCCCCCCCCCCCC(CCS(=O)(=O)O)C#N


InChI

InChI=1S/C18H35NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17-19)15-16-23(20,21)22/h18H,2-16H2,1H3,(H,20,21,22)


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