[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] propane-2-sulfonate

Systemtic Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] propane-2-sulfonate Openeye Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl] ester Formula: C18H20O6S3 MolecularWeight: 428.5428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC3CS3

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC3CS3

InChI

InChI=1S/C18H20O6S3/c1-13(2)27(21,22)24-16-5-3-14(4-6-16)23-15-7-9-18(10-8-15)26(19,20)12-17-11-25-17/h3-10,13,17H,11-12H2,1-2H3