3-heptan-4-yl-2-[4-(2-pentanoyloxypropoxy)phenyl]-4-phenyl-benzoate

Systemtic Name: 3-heptan-4-yl-2-[4-(2-pentanoyloxypropoxy)phenyl]-4-phenyl-benzoate Openeye Name: 2-[4-(2-pentanoyloxypropoxy)phenyl]-4-phenyl-3-(1-propylbutyl)benzoate CAS Name: 3-heptan-4-yl-2-[4-[2-(1-oxopentoxy)propoxy]phenyl]-4-phenylbenzoate IUPAC Name: 3-heptan-4-yl-2-[4-(2-pentanoyloxypropoxy)phenyl]-4-phenylbenzoate Traditional Name: 4-phenyl-3-(1-propylbutyl)-2-[4-(2-valeryloxypropoxy)phenyl]benzoate Formula: C34H41O5- MolecularWeight: 529.68634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=C(C=CC(=C2C(CCC)CCC)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)OC(C)COC1=CC=C(C=C1)C2=C(C=CC(=C2C(CCC)CCC)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C34H42O5/c1-5-8-16-31(35)39-24(4)23-38-28-19-17-27(18-20-28)33-30(34(36)37)22-21-29(25-14-10-9-11-15-25)32(33)26(12-6-2)13-7-3/h9-11,14-15,17-22,24,26H,5-8,12-13,16,23H2,1-4H3,(H,36,37)/p-1