dimethyl 3,8-bis(chloranyl)thianthrene-2,7-dicarboxylate

Systemtic Name: dimethyl 3,8-bis(chloranyl)thianthrene-2,7-dicarboxylate Openeye Name: dimethyl 3,8-dichlorothianthrene-2,7-dicarboxylate CAS Name: 3,8-dichlorothianthrene-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,8-dichlorothianthrene-2,7-dicarboxylate Traditional Name: 3,8-dichlorothianthrene-2,7-dicarboxylic acid dimethyl ester Formula: C16H10Cl2O4S2 MolecularWeight: 401.2842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1Cl)SC3=C(S2)C=C(C(=C3)C(=O)OC)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1Cl)SC3=C(S2)C=C(C(=C3)C(=O)OC)Cl

InChI

InChI=1S/C16H10Cl2O4S2/c1-21-15(19)7-3-11-13(5-9(7)17)24-12-4-8(16(20)22-2)10(18)6-14(12)23-11/h3-6H,1-2H3