(4-hexoxyphenyl) 4-[4-[(2R)-pentan-2-yl]phenyl]benzoate

Systemtic Name: (4-hexoxyphenyl) 4-[4-[(2R)-pentan-2-yl]phenyl]benzoate Openeye Name: (4-hexoxyphenyl) 4-[4-[(1R)-1-methylbutyl]phenyl]benzoate CAS Name: 4-[4-[(2R)-pentan-2-yl]phenyl]benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-[4-[(2R)-pentan-2-yl]phenyl]benzoate Traditional Name: 4-[4-[(1R)-1-methylbutyl]phenyl]benzoic acid (4-hexoxyphenyl) ester Formula: C30H36O3 MolecularWeight: 444.60504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C)CCC

InChI

InChI=1S/C30H36O3/c1-4-6-7-8-22-32-28-18-20-29(21-19-28)33-30(31)27-16-14-26(15-17-27)25-12-10-24(11-13-25)23(3)9-5-2/h10-21,23H,4-9,22H2,1-3H3/t23-/m1/s1