3-[2,5-bis(phenylmethoxy)phenyl]butyl 4-methylbenzenesulfonate

Systemtic Name: 3-[2,5-bis(phenylmethoxy)phenyl]butyl 4-methylbenzenesulfonate Openeye Name: 3-(2,5-dibenzyloxyphenyl)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[2,5-bis(phenylmethoxy)phenyl]butyl ester IUPAC Name: 3-[2,5-bis(phenylmethoxy)phenyl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2,5-dibenzoxyphenyl)butyl ester Formula: C31H32O5S MolecularWeight: 516.64778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)C2=C(C=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)C2=C(C=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H32O5S/c1-24-13-16-29(17-14-24)37(32,33)36-20-19-25(2)30-21-28(34-22-26-9-5-3-6-10-26)15-18-31(30)35-23-27-11-7-4-8-12-27/h3-18,21,25H,19-20,22-23H2,1-2H3