4-methylbenzenesulfonate; phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]azanium Openeye Name: 4-methylbenzenesulfonate; phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]ammonium CAS Name: 4-methylbenzenesulfonate; phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]azanium Traditional Name: phenyl-[(2E,4E)-5-phenylpenta-2,4-dienyl]ammonium tosylate Formula: C24H25NO3S MolecularWeight: 407.5252

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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=CC=CC[NH2+]C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/C=C/C[NH2+]C2=CC=CC=C2

InChI

InChI=1S/C17H17N.C7H8O3S/c1-4-10-16(11-5-1)12-6-3-9-15-18-17-13-7-2-8-14-17;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,18H,15H2;2-5H,1H3,(H,8,9,10)/b9-3+,12-6+;