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

Systemtic Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl octanoate Openeye Name: [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] octanoate CAS Name: octanoic acid 1-[4-(4-octylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-octylphenyl)phenoxy]propan-2-yl octanoate Traditional Name: caprylic acid [1-methyl-2-[4-(4-octylphenyl)phenoxy]ethyl] ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C31H46O3/c1-4-6-8-10-12-13-15-27-17-19-28(20-18-27)29-21-23-30(24-22-29)33-25-26(3)34-31(32)16-14-11-9-7-5-2/h17-24,26H,4-16,25H2,1-3H3