(4-decoxyphenyl) 4-[[(2S)-2-methylbutoxy]methyl]benzoate

Systemtic Name: (4-decoxyphenyl) 4-[[(2S)-2-methylbutoxy]methyl]benzoate Openeye Name: (4-decoxyphenyl) 4-[[(2S)-2-methylbutoxy]methyl]benzoate CAS Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid (4-decoxyphenyl) ester IUPAC Name: (4-decoxyphenyl) 4-[[(2S)-2-methylbutoxy]methyl]benzoate Traditional Name: 4-[[(2S)-2-methylbutoxy]methyl]benzoic acid (4-decoxyphenyl) ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)COC[C@@H](C)CC

InChI

InChI=1S/C29H42O4/c1-4-6-7-8-9-10-11-12-21-32-27-17-19-28(20-18-27)33-29(30)26-15-13-25(14-16-26)23-31-22-24(3)5-2/h13-20,24H,4-12,21-23H2,1-3H3/t24-/m0/s1