[(E)-[cyano(thiophen-2-yl)methylidene]amino] dodecane-1-sulfonate

Systemtic Name: [(E)-[cyano(thiophen-2-yl)methylidene]amino] dodecane-1-sulfonate Openeye Name: [(E)-[cyano(2-thienyl)methylene]amino] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [(E)-[cyano(thiophen-2-yl)methylidene]amino] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid [(E)-[cyano(2-thienyl)methylene]amino] ester Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)ON=C(C#N)C1=CC=CS1

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)O/N=C(\C#N)/C1=CC=CS1

InChI

InChI=1S/C18H28N2O3S2/c1-2-3-4-5-6-7-8-9-10-11-15-25(21,22)23-20-17(16-19)18-13-12-14-24-18/h12-14H,2-11,15H2,1H3/b20-17+