1-cyclohexyl-4-propyl-cyclohexane; (4-pentylphenyl) hydrogen carbonate

Systemtic Name: 1-cyclohexyl-4-propyl-cyclohexane; (4-pentylphenyl) hydrogen carbonate Openeye Name: 1-cyclohexyl-4-propyl-cyclohexane; (4-pentylphenyl) hydrogen carbonate CAS Name: carbonic acid (4-pentylphenyl) ester; 1-cyclohexyl-4-propylcyclohexane IUPAC Name: 1-cyclohexyl-4-propylcyclohexane; (4-pentylphenyl) hydrogen carbonate Traditional Name: carbonic acid (4-amylphenyl) ester; 1-cyclohexyl-4-propyl-cyclohexane Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)O.CCCC1CCC(CC1)C2CCCCC2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)O.CCCC1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C15H28.C12H16O3/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-2-3-4-5-10-6-8-11(9-7-10)15-12(13)14/h13-15H,2-12H2,1H3;6-9H,2-5H2,1H3,(H,13,14)