[2-[(E)-2-iodanylethenyl]phenyl]methylazanium; 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-2-iodanylethenyl]phenyl]methylazanium; 4-methylbenzenesulfonate Openeye Name: [2-[(E)-2-iodovinyl]phenyl]methylammonium; 4-methylbenzenesulfonate CAS Name: [2-[(E)-2-iodoethenyl]phenyl]methylammonium; 4-methylbenzenesulfonate IUPAC Name: [2-[(E)-2-iodoethenyl]phenyl]methylazanium; 4-methylbenzenesulfonate Traditional Name: [2-[(E)-2-iodovinyl]benzyl]ammonium tosylate Formula: C16H18INO3S MolecularWeight: 431.28849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)C[NH3+])C=CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)C[NH3+])/C=C/I

InChI

InChI=1S/C9H10IN.C7H8O3S/c10-6-5-8-3-1-2-4-9(8)7-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-6H,7,11H2;2-5H,1H3,(H,8,9,10)/b6-5+;