1-[4-(4-nonylphenyl)phenoxy]propan-2-yl 5-oxidanylideneheptanoate

Systemtic Name: 1-[4-(4-nonylphenyl)phenoxy]propan-2-yl 5-oxidanylideneheptanoate Openeye Name: [1-methyl-2-[4-(4-nonylphenyl)phenoxy]ethyl] 5-oxoheptanoate CAS Name: 5-oxoheptanoic acid 1-[4-(4-nonylphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-nonylphenyl)phenoxy]propan-2-yl 5-oxoheptanoate Traditional Name: 5-ketoenanthic acid [1-methyl-2-[4-(4-nonylphenyl)phenoxy]ethyl] ester Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC(=O)CC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC(=O)CC

InChI

InChI=1S/C31H44O4/c1-4-6-7-8-9-10-11-13-26-16-18-27(19-17-26)28-20-22-30(23-21-28)34-24-25(3)35-31(33)15-12-14-29(32)5-2/h16-23,25H,4-15,24H2,1-3H3