(2-methoxy-4-prop-2-enyl-phenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (2-methoxy-4-prop-2-enyl-phenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (4-allyl-2-methoxy-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-methoxy-4-prop-2-enylphenyl) ester IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (4-allyl-2-methoxy-phenyl) ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H14N2O4S2/c1-3-5-11-8-9-13(14(10-11)21-2)22-24(19,20)15-7-4-6-12-16(15)18-23-17-12/h3-4,6-10H,1,5H2,2H3