dimethyl 4-[3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-propoxy]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[3-(4-hydroxyphenyl)sulfanyl-2-oxidanyl-propoxy]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[2-hydroxy-3-(4-hydroxyphenyl)sulfanyl-propoxy]benzene-1,2-dicarboxylate CAS Name: 4-[2-hydroxy-3-[(4-hydroxyphenyl)thio]propoxy]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[2-hydroxy-3-(4-hydroxyphenyl)sulfanylpropoxy]benzene-1,2-dicarboxylate Traditional Name: 4-[2-hydroxy-3-[(4-hydroxyphenyl)thio]propoxy]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C19H20O7S MolecularWeight: 392.4229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)OCC(CSC2=CC=C(C=C2)O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)OCC(CSC2=CC=C(C=C2)O)O)C(=O)OC

InChI

InChI=1S/C19H20O7S/c1-24-18(22)16-8-5-14(9-17(16)19(23)25-2)26-10-13(21)11-27-15-6-3-12(20)4-7-15/h3-9,13,20-21H,10-11H2,1-2H3