2-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylideneazaniumyl]ethanesulfonate

Systemtic Name: 2-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylideneazaniumyl]ethanesulfonate Openeye Name: 2-[(3-allyl-2-hydroxy-phenyl)methyleneammonio]ethanesulfonate CAS Name: 2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneammonio]ethanesulfonate IUPAC Name: 2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneazaniumyl]ethanesulfonate Traditional Name: 2-(3-allyl-2-hydroxy-benzylidene)ammonioethanesulfonate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1O)C=[NH+]CCS(=O)(=O)[O-]

Isomeric SMILES

C=CCC1=CC=CC(=C1O)C=[NH+]CCS(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO4S/c1-2-4-10-5-3-6-11(12(10)14)9-13-7-8-18(15,16)17/h2-3,5-6,9,14H,1,4,7-8H2,(H,15,16,17)