[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] 3-chloranylpropane-1-sulfonate

Systemtic Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] 3-chloranylpropane-1-sulfonate Openeye Name: [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] 3-chloropropane-1-sulfonate CAS Name: 3-chloro-1-propanesulfonic acid IUPAC Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] 3-chloropropane-1-sulfonate Traditional Name: 3-chloropropane-1-sulfonic acid [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NOS(=O)(=O)CCCCl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)/C(=N/OS(=O)(=O)CCCCl)/C#N

InChI

InChI=1S/C12H13ClN2O4S/c1-18-11-5-3-10(4-6-11)12(9-14)15-19-20(16,17)8-2-7-13/h3-6H,2,7-8H2,1H3/b15-12+