1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2-[2-benzyloxy-1-(benzyloxymethyl)ethoxy]-1-[[2-benzyloxy-1-(benzyloxymethyl)ethoxy]methyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yl ester IUPAC Name: 1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-benzoxy-1-(benzoxymethyl)ethoxy]-1-[[2-benzoxy-1-(benzoxymethyl)ethoxy]methyl]ethyl] ester Formula: C44H50O9S MolecularWeight: 754.9274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COC(COCC2=CC=CC=C2)COCC3=CC=CC=C3)COC(COCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(COC(COCC2=CC=CC=C2)COCC3=CC=CC=C3)COC(COCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C44H50O9S/c1-36-22-24-44(25-23-36)54(45,46)53-43(34-51-41(30-47-26-37-14-6-2-7-15-37)31-48-27-38-16-8-3-9-17-38)35-52-42(32-49-28-39-18-10-4-11-19-39)33-50-29-40-20-12-5-13-21-40/h2-25,41-43H,26-35H2,1H3