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

Systemtic Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl octanoate Openeye Name: [2-[4-(4-heptylphenyl)phenoxy]-1-methyl-ethyl] octanoate CAS Name: octanoic acid 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl octanoate Traditional Name: caprylic acid [2-[4-(4-heptylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C30H44O3 MolecularWeight: 452.66856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCCCCC

InChI

InChI=1S/C30H44O3/c1-4-6-8-10-12-14-26-16-18-27(19-17-26)28-20-22-29(23-21-28)32-24-25(3)33-30(31)15-13-11-9-7-5-2/h16-23,25H,4-15,24H2,1-3H3