1-(3-phenyl-4-propyl-phenoxy)propan-2-yl 6-methyloctanoate

Systemtic Name: 1-(3-phenyl-4-propyl-phenoxy)propan-2-yl 6-methyloctanoate Openeye Name: [1-methyl-2-(3-phenyl-4-propyl-phenoxy)ethyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid 1-(3-phenyl-4-propylphenoxy)propan-2-yl ester IUPAC Name: 1-(3-phenyl-4-propylphenoxy)propan-2-yl 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [1-methyl-2-(3-phenyl-4-propyl-phenoxy)ethyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)OCC(C)OC(=O)CCCCC(C)CC)C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=C(C=C1)OCC(C)OC(=O)CCCCC(C)CC)C2=CC=CC=C2

InChI

InChI=1S/C27H38O3/c1-5-12-23-17-18-25(19-26(23)24-14-8-7-9-15-24)29-20-22(4)30-27(28)16-11-10-13-21(3)6-2/h7-9,14-15,17-19,21-22H,5-6,10-13,16,20H2,1-4H3