5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptyl-cyclohexane

Systemtic Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptyl-cyclohexane Openeye Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptyl-cyclohexane CAS Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptylcyclohexane IUPAC Name: 5-cyano-2-pentyl-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptylcyclohexane Traditional Name: 2-amyl-5-cyano-1,3-dioxane-5-carboxylic acid; 1-cyclohexyl-4-heptyl-cyclohexane Formula: C30H53NO4 MolecularWeight: 491.74612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCCCC2.CCCCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCCCC2.CCCCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C19H36.C11H17NO4/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18;1-2-3-4-5-9-15-7-11(6-12,8-16-9)10(13)14/h17-19H,2-16H2,1H3;9H,2-5,7-8H2,1H3,(H,13,14)