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

Systemtic Name: methyl 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]sulfonylbenzoate Openeye Name: methyl 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]sulfonylbenzoate CAS Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]sulfonylbenzoate Traditional Name: 4-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]sulfonylbenzoic acid methyl ester Formula: C18H18O6S3 MolecularWeight: 426.52692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18O6S3/c1-22-16-11-13(18-25-9-10-26-18)5-8-15(16)24-27(20,21)14-6-3-12(4-7-14)17(19)23-2/h3-8,11,18H,9-10H2,1-2H3