[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-(4-methoxyphenoxy)-2-methyl-propanoate

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-(4-methoxyphenoxy)-2-methyl-propanoate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 2-(4-methoxyphenoxy)-2-methyl-propanoate CAS Name: 2-(4-methoxyphenoxy)-2-methylpropanoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-(4-methoxyphenoxy)-2-methylpropanoate Traditional Name: 2-(4-methoxyphenoxy)-2-methyl-propionic acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C20H18O4S3 MolecularWeight: 418.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC=C(C=C1)C2=CC(=S)SS2)OC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C(=O)OC1=CC=C(C=C1)C2=CC(=S)SS2)OC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H18O4S3/c1-20(2,24-16-10-8-14(22-3)9-11-16)19(21)23-15-6-4-13(5-7-15)17-12-18(25)27-26-17/h4-12H,1-3H3