methyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoate

Systemtic Name: methyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoate Openeye Name: methyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoate CAS Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoate Traditional Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonylbenzoic acid methyl ester Formula: C17H16O5S3 MolecularWeight: 396.50094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H16O5S3/c1-21-16(18)12-4-8-15(9-5-12)25(19,20)22-14-6-2-13(3-7-14)17-23-10-11-24-17/h2-9,17H,10-11H2,1H3