[(E)-4-phenylbut-3-yn-2-ylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-4-phenylbut-3-yn-2-ylideneamino] 4-methylbenzenesulfonate Openeye Name: [(E)-(1-methyl-3-phenyl-prop-2-ynylidene)amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-4-phenylbut-3-yn-2-ylideneamino] ester IUPAC Name: [(E)-4-phenylbut-3-yn-2-ylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-(1-methyl-3-phenyl-prop-2-ynylidene)amino] ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C#CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C)/C#CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO3S/c1-14-8-12-17(13-9-14)22(19,20)21-18-15(2)10-11-16-6-4-3-5-7-16/h3-9,12-13H,1-2H3/b18-15+