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

Systemtic Name: 1-cyano-3-(2-cyanoethyl)-5-phenyl-pentane-3-sulfonic acid Openeye Name: 1-cyano-3-(2-cyanoethyl)-5-phenyl-pentane-3-sulfonic acid CAS Name: 1-cyano-3-(2-cyanoethyl)-5-phenyl-3-pentanesulfonic acid IUPAC Name: 1-cyano-3-(2-cyanoethyl)-5-phenylpentane-3-sulfonic acid Traditional Name: 1-cyano-3-(2-cyanoethyl)-5-phenyl-pentane-3-sulfonic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCC#N)(CCC#N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCC#N)(CCC#N)S(=O)(=O)O

InChI

InChI=1S/C15H18N2O3S/c16-12-4-9-15(10-5-13-17,21(18,19)20)11-8-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-11H2,(H,18,19,20)