calcium; 2,5-di(propan-2-yl)benzenecarbonitrile; sulfur dioxide

Systemtic Name: calcium; 2,5-di(propan-2-yl)benzenecarbonitrile; sulfur dioxide Openeye Name: calcium; 2,5-diisopropylbenzonitrile; sulfur dioxide CAS Name: calcium; 2,5-di(propan-2-yl)benzonitrile; sulfur dioxide IUPAC Name: calcium; 2,5-di(propan-2-yl)benzonitrile; sulfur dioxide Traditional Name: calcium; 2,5-diisopropylbenzonitrile; sulfur dioxide Formula: C13H17CaNO2S+2 MolecularWeight: 291.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(C)C)C#N.O=S=O.[Ca+2]

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(C)C)C#N.O=S=O.[Ca+2]

InChI

InChI=1S/C13H17N.Ca.O2S/c1-9(2)11-5-6-13(10(3)4)12(7-11)8-14;;1-3-2/h5-7,9-10H,1-4H3;;/q;+2;