bis[1-(2-isothiocyanatoethoxy)ethyl] heptanedioate

Systemtic Name: bis[1-(2-isothiocyanatoethoxy)ethyl] heptanedioate Openeye Name: bis[1-(2-isothiocyanatoethoxy)ethyl] heptanedioate CAS Name: heptanedioic acid bis[1-(2-isothiocyanatoethoxy)ethyl] ester IUPAC Name: bis[1-(2-isothiocyanatoethoxy)ethyl] heptanedioate Traditional Name: pimelic acid bis[1-(2-isothiocyanatoethoxy)ethyl] ester Formula: C17H26N2O6S2 MolecularWeight: 418.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCCN=C=S)OC(=O)CCCCCC(=O)OC(C)OCCN=C=S

Isomeric SMILES

CC(OCCN=C=S)OC(=O)CCCCCC(=O)OC(C)OCCN=C=S

InChI

InChI=1S/C17H26N2O6S2/c1-14(22-10-8-18-12-26)24-16(20)6-4-3-5-7-17(21)25-15(2)23-11-9-19-13-27/h14-15H,3-11H2,1-2H3