bis[1-(2-isothiocyanatoethoxy)ethyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[1-(2-isothiocyanatoethoxy)ethyl] benzene-1,2-dicarboxylate Openeye Name: bis[1-(2-isothiocyanatoethoxy)ethyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[1-(2-isothiocyanatoethoxy)ethyl] ester IUPAC Name: bis[1-(2-isothiocyanatoethoxy)ethyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[1-(2-isothiocyanatoethoxy)ethyl] ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCCN=C=S)OC(=O)C1=CC=CC=C1C(=O)OC(C)OCCN=C=S

Isomeric SMILES

CC(OCCN=C=S)OC(=O)C1=CC=CC=C1C(=O)OC(C)OCCN=C=S

InChI

InChI=1S/C18H20N2O6S2/c1-13(23-9-7-19-11-27)25-17(21)15-5-3-4-6-16(15)18(22)26-14(2)24-10-8-20-12-28/h3-6,13-14H,7-10H2,1-2H3