[4-(1,3-dithiolan-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H18O5S3 MolecularWeight: 410.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C4SCCS4)OC1

InChI

InChI=1S/C18H18O5S3/c19-26(20,15-6-7-16-17(12-15)22-9-1-8-21-16)23-14-4-2-13(3-5-14)18-24-10-11-25-18/h2-7,12,18H,1,8-11H2