bis(4-methylphenyl) 3-henicosa-9,11-diynylpentanedioate

Systemtic Name: bis(4-methylphenyl) 3-henicosa-9,11-diynylpentanedioate Openeye Name: bis-p-tolyl 3-henicosa-9,11-diynylpentanedioate CAS Name: 3-heneicosa-9,11-diynylpentanedioic acid bis(4-methylphenyl) ester IUPAC Name: bis(4-methylphenyl) 3-henicosa-9,11-diynylpentanedioate Traditional Name: 3-heneicosa-9,11-diynylglutaric acid bis-p-tolyl ester Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC#CCCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C)CC(=O)OC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCC#CC#CCCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C)CC(=O)OC2=CC=C(C=C2)C

InChI

InChI=1S/C40H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36(32-39(41)43-37-28-24-34(2)25-29-37)33-40(42)44-38-30-26-35(3)27-31-38/h24-31,36H,4-11,16-23,32-33H2,1-3H3