(4-tert-butylphenyl) (5E,8E,11E,14E)-2-methylicosa-5,8,11,14-tetraenoate

Systemtic Name: (4-tert-butylphenyl) (5E,8E,11E,14E)-2-methylicosa-5,8,11,14-tetraenoate Openeye Name: (4-tert-butylphenyl) (5E,8E,11E,14E)-2-methylicosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11E,14E)-2-methyleicosa-5,8,11,14-tetraenoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (5E,8E,11E,14E)-2-methylicosa-5,8,11,14-tetraenoate Traditional Name: (5E,8E,11E,14E)-2-methyleicosa-5,8,11,14-tetraenoic acid (4-tert-butylphenyl) ester Formula: C31H46O2 MolecularWeight: 450.69574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCC=CCCC(C)C(=O)OC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC(C)C(=O)OC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C31H46O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(2)30(32)33-29-25-23-28(24-26-29)31(3,4)5/h10-11,13-14,16-17,19-20,23-27H,6-9,12,15,18,21-22H2,1-5H3/b11-10+,14-13+,17-16+,20-19+