5-cyano-3,3-bis(2-cyanoethyl)pentane-1-sulfonic acid

Systemtic Name: 5-cyano-3,3-bis(2-cyanoethyl)pentane-1-sulfonic acid Openeye Name: 5-cyano-3,3-bis(2-cyanoethyl)pentane-1-sulfonic acid CAS Name: 5-cyano-3,3-bis(2-cyanoethyl)-1-pentanesulfonic acid IUPAC Name: 5-cyano-3,3-bis(2-cyanoethyl)pentane-1-sulfonic acid Traditional Name: 5-cyano-3,3-bis(2-cyanoethyl)pentane-1-sulfonic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CCC#N)(CCC#N)CCS(=O)(=O)O)C#N

Isomeric SMILES

C(CC(CCC#N)(CCC#N)CCS(=O)(=O)O)C#N

InChI

InChI=1S/C12H17N3O3S/c13-8-1-4-12(5-2-9-14,6-3-10-15)7-11-19(16,17)18/h1-7,11H2,(H,16,17,18)