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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC3=NSN=C32)OC

Isomeric SMILES

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

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/h3-10H,1-2H3/b5-3+