(4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate

Systemtic Name: (4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate Openeye Name: (4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate CAS Name: 4-[4-(2-methylbutyl)phenyl]benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-[4-(2-methylbutyl)phenyl]benzoate Traditional Name: 4-[4-(2-methylbutyl)phenyl]benzoic acid (4-heptoxyphenyl) ester Formula: C31H38O3 MolecularWeight: 458.63162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C31H38O3/c1-4-6-7-8-9-22-33-29-18-20-30(21-19-29)34-31(32)28-16-14-27(15-17-28)26-12-10-25(11-13-26)23-24(3)5-2/h10-21,24H,4-9,22-23H2,1-3H3