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1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate

1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate

Systemtic Name:1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate
Openeye Name:[1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] 4-methylhexanoate
CAS Name:4-methylhexanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester
IUPAC Name:1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate
Traditional Name:4-methylhexanoic acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester
Formula: C30H44O4
MolecularWeight: 468.66796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)CC


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)CC


InChI

InChI=1S/C30H44O4/c1-5-7-8-9-10-11-22-32-28-17-13-26(14-18-28)27-15-19-29(20-16-27)33-23-25(4)34-30(31)21-12-24(3)6-2/h13-20,24-25H,5-12,21-23H2,1-4H3


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