16-(4-methylphenyl)sulfonyloxyhexadeca-5,7,9,11-tetraynyl 4-methylbenzenesulfonate

Systemtic Name: 16-(4-methylphenyl)sulfonyloxyhexadeca-5,7,9,11-tetraynyl 4-methylbenzenesulfonate Openeye Name: 16-(p-tolylsulfonyloxy)hexadeca-5,7,9,11-tetraynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 16-(4-methylphenyl)sulfonyloxyhexadeca-5,7,9,11-tetraynyl ester IUPAC Name: 16-(4-methylphenyl)sulfonyloxyhexadeca-5,7,9,11-tetraynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 16-tosyloxyhexadeca-5,7,9,11-tetraynyl ester Formula: C30H30O6S2 MolecularWeight: 550.6856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC#CC#CC#CCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC#CC#CC#CC#CCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C30H30O6S2/c1-27-17-21-29(22-18-27)37(31,32)35-25-15-13-11-9-7-5-3-4-6-8-10-12-14-16-26-36-38(33,34)30-23-19-28(2)20-24-30/h17-24H,11-16,25-26H2,1-2H3