[7-cyclododecyl-2-[(4-methylphenyl)sulfonyloxymethyl]heptyl] 4-methylbenzenesulfonate

Systemtic Name: [7-cyclododecyl-2-[(4-methylphenyl)sulfonyloxymethyl]heptyl] 4-methylbenzenesulfonate Openeye Name: [7-cyclododecyl-2-(p-tolylsulfonyloxymethyl)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-cyclododecyl-2-[(4-methylphenyl)sulfonyloxymethyl]heptyl] ester IUPAC Name: [7-cyclododecyl-2-[(4-methylphenyl)sulfonyloxymethyl]heptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-cyclododecyl-2-(tosyloxymethyl)heptyl] ester Formula: C34H52O6S2 MolecularWeight: 620.90308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCC2CCCCCCCCCCC2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCC2CCCCCCCCCCC2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C34H52O6S2/c1-29-19-23-33(24-20-29)41(35,36)39-27-32(28-40-42(37,38)34-25-21-30(2)22-26-34)18-14-10-13-17-31-15-11-8-6-4-3-5-7-9-12-16-31/h19-26,31-32H,3-18,27-28H2,1-2H3