henicosa-10,12-diynyl 4-methylbenzenesulfonate

Systemtic Name: henicosa-10,12-diynyl 4-methylbenzenesulfonate Openeye Name: henicosa-10,12-diynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid heneicosa-10,12-diynyl ester IUPAC Name: henicosa-10,12-diynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid heneicosa-10,12-diynyl ester Formula: C28H42O3S MolecularWeight: 458.69628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C28H42O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-32(29,30)28-24-22-27(2)23-25-28/h22-25H,3-9,14-21,26H2,1-2H3