[4-[1-[4-(4-butoxyphenyl)carbonyloxyphenyl]-4-methyl-cyclohexyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[1-[4-(4-butoxyphenyl)carbonyloxyphenyl]-4-methyl-cyclohexyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[1-[4-(4-butoxybenzoyl)oxyphenyl]-4-methyl-cyclohexyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[1-[4-[(4-butoxyphenyl)-oxomethoxy]phenyl]-4-methylcyclohexyl]phenyl] ester IUPAC Name: [4-[1-[4-(4-butoxybenzoyl)oxyphenyl]-4-methylcyclohexyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[1-[4-(4-butoxybenzoyl)oxyphenyl]-4-methyl-cyclohexyl]phenyl] ester Formula: C41H46O6 MolecularWeight: 634.80034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3(CCC(CC3)C)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3(CCC(CC3)C)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCC

InChI

InChI=1S/C41H46O6/c1-4-6-28-44-35-16-8-31(9-17-35)39(42)46-37-20-12-33(13-21-37)41(26-24-30(3)25-27-41)34-14-22-38(23-15-34)47-40(43)32-10-18-36(19-11-32)45-29-7-5-2/h8-23,30H,4-7,24-29H2,1-3H3