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2-methylbutyl 4-[(3-octoxy-4-phenyl-phenoxy)methyl]benzoate

2-methylbutyl 4-[(3-octoxy-4-phenyl-phenoxy)methyl]benzoate

Systemtic Name:2-methylbutyl 4-[(3-octoxy-4-phenyl-phenoxy)methyl]benzoate
Openeye Name:2-methylbutyl 4-[(3-octoxy-4-phenyl-phenoxy)methyl]benzoate
CAS Name:4-[(3-octoxy-4-phenylphenoxy)methyl]benzoic acid 2-methylbutyl ester
IUPAC Name:2-methylbutyl 4-[(3-octoxy-4-phenylphenoxy)methyl]benzoate
Traditional Name:4-[(3-octoxy-4-phenyl-phenoxy)methyl]benzoic acid 2-methylbutyl ester
Formula: C33H42O4
MolecularWeight: 502.68418
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)OCC(C)CC)C3=CC=CC=C3


Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)OCC2=CC=C(C=C2)C(=O)OCC(C)CC)C3=CC=CC=C3


InChI

InChI=1S/C33H42O4/c1-4-6-7-8-9-13-22-35-32-23-30(20-21-31(32)28-14-11-10-12-15-28)36-25-27-16-18-29(19-17-27)33(34)37-24-26(3)5-2/h10-12,14-21,23,26H,4-9,13,22,24-25H2,1-3H3


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