[5-[bis(3-phenylpropoxy)methyl]-2,3-bis-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-[bis(3-phenylpropoxy)methyl]-2,3-bis-(4-methylphenyl)sulfonyloxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[bis(3-phenylpropoxy)methyl]-2,3-bis(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[bis(3-phenylpropoxy)methyl]-2,3-bis-(4-methylphenyl)sulfonyloxyphenyl] ester IUPAC Name: [5-[bis(3-phenylpropoxy)methyl]-2,3-bis-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[bis(3-phenylpropoxy)methyl]-2,3-ditosyloxy-phenyl] ester Formula: C46H46O11S3 MolecularWeight: 871.04584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(OCCCC5=CC=CC=C5)OCCCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(OCCCC5=CC=CC=C5)OCCCC6=CC=CC=C6

InChI

InChI=1S/C46H46O11S3/c1-34-18-24-40(25-19-34)58(47,48)55-43-32-39(46(53-30-10-16-37-12-6-4-7-13-37)54-31-11-17-38-14-8-5-9-15-38)33-44(56-59(49,50)41-26-20-35(2)21-27-41)45(43)57-60(51,52)42-28-22-36(3)23-29-42/h4-9,12-15,18-29,32-33,46H,10-11,16-17,30-31H2,1-3H3