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

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-methyl-2-(4-methylphenoxy)propanoate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 2-methyl-2-(4-methylphenoxy)propanoate CAS Name: 2-methyl-2-(4-methylphenoxy)propanoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-methyl-2-(4-methylphenoxy)propanoate Traditional Name: 2-methyl-2-(4-methylphenoxy)propionic acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C20H18O3S3 MolecularWeight: 402.55012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)(C)C(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)(C)C(=O)OC2=CC=C(C=C2)C3=CC(=S)SS3

InChI

InChI=1S/C20H18O3S3/c1-13-4-8-16(9-5-13)23-20(2,3)19(21)22-15-10-6-14(7-11-15)17-12-18(24)26-25-17/h4-12H,1-3H3