[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-(2-thiiranylmethylsulfonyl)phenoxy]phenyl] ester IUPAC Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] ester Formula: C22H20O6S3 MolecularWeight: 476.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)CC4CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)CC4CS4

InChI

InChI=1S/C22H20O6S3/c1-16-2-10-22(11-3-16)31(25,26)28-19-6-4-17(5-7-19)27-18-8-12-21(13-9-18)30(23,24)15-20-14-29-20/h2-13,20H,14-15H2,1H3