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

Systemtic Name: 1-butyl-4-cyclohexyl-cyclohexane; (4-pentylphenyl) hydrogen carbonate Openeye Name: 1-butyl-4-cyclohexyl-cyclohexane; (4-pentylphenyl) hydrogen carbonate CAS Name: 1-butyl-4-cyclohexylcyclohexane; carbonic acid (4-pentylphenyl) ester IUPAC Name: 1-butyl-4-cyclohexylcyclohexane; (4-pentylphenyl) hydrogen carbonate Traditional Name: 1-butyl-4-cyclohexyl-cyclohexane; carbonic acid (4-amylphenyl) ester Formula: C28H46O3 MolecularWeight: 430.66304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)O.CCCCC1CCC(CC1)C2CCCCC2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)O.CCCCC1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C16H30.C12H16O3/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;1-2-3-4-5-10-6-8-11(9-7-10)15-12(13)14/h14-16H,2-13H2,1H3;6-9H,2-5H2,1H3,(H,13,14)