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

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

Systemtic Name:1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl octanoate
Openeye Name:[1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] octanoate
CAS Name:octanoic acid 1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl ester
IUPAC Name:1-[4-(4-octoxyphenyl)phenoxy]propan-2-yl octanoate
Traditional Name:caprylic acid [1-methyl-2-[4-(4-octoxyphenyl)phenoxy]ethyl] ester
Formula: C31H46O4
MolecularWeight: 482.69454
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C31H46O4/c1-4-6-8-10-12-14-24-33-29-20-16-27(17-21-29)28-18-22-30(23-19-28)34-25-26(3)35-31(32)15-13-11-9-7-5-2/h16-23,26H,4-15,24-25H2,1-3H3


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