1-[4-[[4-(4-nonylphenyl)phenyl]methoxy]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[[4-(4-nonylphenyl)phenyl]methoxy]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[[4-(4-nonylphenyl)phenyl]methoxy]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[[4-(4-nonylphenyl)phenyl]methoxy]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[[4-(4-nonylphenyl)phenyl]methoxy]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-[4-(4-nonylphenyl)benzyl]oxyphenoxy]ethyl] ester Formula: C36H48O4 MolecularWeight: 544.76392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C36H48O4/c1-4-6-8-9-10-11-12-13-30-15-19-32(20-16-30)33-21-17-31(18-22-33)28-39-35-25-23-34(24-26-35)38-27-29(3)40-36(37)14-7-5-2/h15-26,29H,4-14,27-28H2,1-3H3