1-butyl-4-cyclohexyl-cyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 1-butyl-4-cyclohexyl-cyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Openeye Name: 1-butyl-4-cyclohexyl-cyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid CAS Name: 1-butyl-4-cyclohexylcyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 1-butyl-4-cyclohexylcyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Traditional Name: 1-butyl-4-cyclohexyl-cyclohexane; 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Formula: C25H43NO4 MolecularWeight: 421.61322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCCC1CCC(CC1)C2CCCCC2.CCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C16H30.C9H13NO4/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;1-2-3-7-13-5-9(4-10,6-14-7)8(11)12/h14-16H,2-13H2,1H3;7H,2-3,5-6H2,1H3,(H,11,12)