3-[3,5-bis[3-(4-methylphenyl)sulfonyloxyprop-1-ynyl]-1-adamantyl]prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-[3,5-bis[3-(4-methylphenyl)sulfonyloxyprop-1-ynyl]-1-adamantyl]prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-[3,5-bis[3-(p-tolylsulfonyloxy)prop-1-ynyl]-1-adamantyl]prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3,5-bis[3-(4-methylphenyl)sulfonyloxyprop-1-ynyl]-1-adamantyl]prop-2-ynyl ester IUPAC Name: 3-[3,5-bis[3-(4-methylphenyl)sulfonyloxyprop-1-ynyl]-1-adamantyl]prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[3,5-bis(3-tosyloxyprop-1-ynyl)-1-adamantyl]prop-2-ynyl ester Formula: C40H40O9S3 MolecularWeight: 760.9352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC23CC4CC(C2)(CC(C4)(C3)C#CCOS(=O)(=O)C5=CC=C(C=C5)C)C#CCOS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC23CC4CC(C2)(CC(C4)(C3)C#CCOS(=O)(=O)C5=CC=C(C=C5)C)C#CCOS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C40H40O9S3/c1-31-7-13-35(14-8-31)50(41,42)47-22-4-19-38-25-34-26-39(28-38,20-5-23-48-51(43,44)36-15-9-32(2)10-16-36)30-40(27-34,29-38)21-6-24-49-52(45,46)37-17-11-33(3)12-18-37/h7-18,34H,22-30H2,1-3H3