2-(2-isothiocyanatoethyl)decanedioic acid

Systemtic Name: 2-(2-isothiocyanatoethyl)decanedioic acid Openeye Name: 2-(2-isothiocyanatoethyl)decanedioic acid CAS Name: 2-(2-isothiocyanatoethyl)decanedioic acid IUPAC Name: 2-(2-isothiocyanatoethyl)decanedioic acid Traditional Name: 2-(2-isothiocyanatoethyl)sebacic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(CCN=C=S)C(=O)O)CCCC(=O)O

Isomeric SMILES

C(CCCC(CCN=C=S)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C13H21NO4S/c15-12(16)7-5-3-1-2-4-6-11(13(17)18)8-9-14-10-19/h11H,1-9H2,(H,15,16)(H,17,18)