3-[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-propoxy]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-propoxy]propyl 4-methylbenzenesulfonate Openeye Name: 3-[2-benzyl-3-(p-tolylsulfonyloxy)propoxy]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylpropoxy]propyl ester IUPAC Name: 3-[2-benzyl-3-(4-methylphenyl)sulfonyloxypropoxy]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2-benzyl-3-tosyloxy-propoxy)propyl ester Formula: C27H32O7S2 MolecularWeight: 532.66878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC(CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOCC(CC2=CC=CC=C2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H32O7S2/c1-22-9-13-26(14-10-22)35(28,29)33-18-6-17-32-20-25(19-24-7-4-3-5-8-24)21-34-36(30,31)27-15-11-23(2)12-16-27/h3-5,7-16,25H,6,17-21H2,1-2H3