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1-[4-(4-hexoxyphenyl)phenyl]ethyl 5-methylheptanoate

1-[4-(4-hexoxyphenyl)phenyl]ethyl 5-methylheptanoate

Systemtic Name:1-[4-(4-hexoxyphenyl)phenyl]ethyl 5-methylheptanoate
Openeye Name:1-[4-(4-hexoxyphenyl)phenyl]ethyl 5-methylheptanoate
CAS Name:5-methylheptanoic acid 1-[4-(4-hexoxyphenyl)phenyl]ethyl ester
IUPAC Name:1-[4-(4-hexoxyphenyl)phenyl]ethyl 5-methylheptanoate
Traditional Name:5-methylenanthic acid 1-[4-(4-hexoxyphenyl)phenyl]ethyl ester
Formula: C28H40O3
MolecularWeight: 424.6154
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC


Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(C)OC(=O)CCCC(C)CC


InChI

InChI=1S/C28H40O3/c1-5-7-8-9-21-30-27-19-17-26(18-20-27)25-15-13-24(14-16-25)23(4)31-28(29)12-10-11-22(3)6-2/h13-20,22-23H,5-12,21H2,1-4H3


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