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

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(4-methylphenyl)buta-2,3-dien-2-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-(p-tolyl)buta-2,3-dien-2-amine CAS Name: 4-methylbenzenesulfonic acid; 1-(4-methylphenyl)-2-buta-2,3-dienamine IUPAC Name: 4-methylbenzenesulfonic acid; 1-(4-methylphenyl)buta-2,3-dien-2-amine Traditional Name: 1-(4-methylbenzyl)propa-1,2-dienylamine; tosylic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N.C7H8O3S/c1-3-11(12)8-10-6-4-9(2)5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1,8,12H2,2H3;2-5H,1H3,(H,8,9,10)