1-(4-fluorophenyl)buta-2,3-dien-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(4-fluorophenyl)buta-2,3-dien-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(4-fluorophenyl)buta-2,3-dien-2-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(4-fluorophenyl)-2-buta-2,3-dienamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(4-fluorophenyl)buta-2,3-dien-2-amine; 4-methylbenzenesulfonic acid Traditional Name: 1-(4-fluorobenzyl)propa-1,2-dienylamine; tosylic acid Formula: C17H18FNO3S MolecularWeight: 335.393123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C=C=C(CC1=CC=C(C=C1)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C=C=C(CC1=CC=C(C=C1)F)N

InChI

InChI=1S/C10H10FN.C7H8O3S/c1-2-10(12)7-8-3-5-9(11)6-4-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1,7,12H2;2-5H,1H3,(H,8,9,10)