[2-[(4-methylphenyl)sulfonyloxymethyl]-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate Openeye Name: [8-benzyloxy-2-(p-tolylsulfonyloxymethyl)octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(4-methylphenyl)sulfonyloxymethyl]-8-phenylmethoxyoctyl] ester IUPAC Name: [2-[(4-methylphenyl)sulfonyloxymethyl]-8-phenylmethoxyoctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-benzoxy-2-(tosyloxymethyl)octyl] ester Formula: C30H38O7S2 MolecularWeight: 574.74852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCOCC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCOCC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H38O7S2/c1-25-13-17-29(18-14-25)38(31,32)36-23-28(24-37-39(33,34)30-19-15-26(2)16-20-30)12-6-3-4-9-21-35-22-27-10-7-5-8-11-27/h5,7-8,10-11,13-20,28H,3-4,6,9,12,21-24H2,1-2H3