1-[4-(4-heptylphenyl)phenoxy]propan-2-yl 5-methylheptanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl 5-methylheptanoate Openeye Name: [2-[4-(4-heptylphenyl)phenoxy]-1-methyl-ethyl] 5-methylheptanoate CAS Name: 5-methylheptanoic acid 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenoxy]propan-2-yl 5-methylheptanoate Traditional Name: 5-methylenanthic 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)CCCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C30H44O3/c1-5-7-8-9-10-13-26-15-17-27(18-16-26)28-19-21-29(22-20-28)32-23-25(4)33-30(31)14-11-12-24(3)6-2/h15-22,24-25H,5-14,23H2,1-4H3