octan-2-yl 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]cyclohexene-1-carboxylate

Systemtic Name: octan-2-yl 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]cyclohexene-1-carboxylate Openeye Name: 1-methylheptyl 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]cyclohexene-1-carboxylate CAS Name: 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]-1-cyclohexenecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]cyclohexene-1-carboxylate Traditional Name: 4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]cyclohexene-1-carboxylic acid 1-methylheptyl ester Formula: C36H50O2 MolecularWeight: 514.781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC

InChI

InChI=1S/C36H50O2/c1-4-6-7-8-10-27(3)38-36(37)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)29-13-11-28(9-5-2)12-14-29/h15-22,25,27-29,34H,4-14,23-24,26H2,1-3H3