[5-[(E)-2-[4-(methylazaniumyl)phenyl]ethenyl]-2-oxidanyl-phenyl]methanesulfonate

Systemtic Name: [5-[(E)-2-[4-(methylazaniumyl)phenyl]ethenyl]-2-oxidanyl-phenyl]methanesulfonate Openeye Name: [2-hydroxy-5-[(E)-2-[4-(methylammonio)phenyl]vinyl]phenyl]methanesulfonate CAS Name: [2-hydroxy-5-[(E)-2-[4-(methylammonio)phenyl]ethenyl]phenyl]methanesulfonate IUPAC Name: [2-hydroxy-5-[(E)-2-[4-(methylazaniumyl)phenyl]ethenyl]phenyl]methanesulfonate Traditional Name: [2-hydroxy-5-[(E)-2-[4-(methylammonio)phenyl]vinyl]phenyl]methanesulfonate Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)CS(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2)O)CS(=O)(=O)[O-]

InChI

InChI=1S/C16H17NO4S/c1-17-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-22(19,20)21/h2-10,17-18H,11H2,1H3,(H,19,20,21)/b3-2+