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[(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] 4-methylpentanoate

[(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] 4-methylpentanoate

Systemtic Name:[(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] 4-methylpentanoate
Openeye Name:[(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] 4-methylpentanoate
CAS Name:4-methylpentanoic acid [(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] ester
IUPAC Name:[(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] 4-methylpentanoate
Traditional Name:4-methylvaleric acid [(2R)-2-[4-(4-octoxyphenyl)phenoxy]propyl] ester
Formula: C29H42O4
MolecularWeight: 454.64138
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)O[C@H](C)COC(=O)CCC(C)C


InChI

InChI=1S/C29H42O4/c1-5-6-7-8-9-10-21-31-27-16-12-25(13-17-27)26-14-18-28(19-15-26)33-24(4)22-32-29(30)20-11-23(2)3/h12-19,23-24H,5-11,20-22H2,1-4H3/t24-/m1/s1


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