butane-1,4-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: butane-1,4-diamine; 4-methylbenzenesulfonic acid Openeye Name: butane-1,4-diamine; 4-methylbenzenesulfonic acid CAS Name: butane-1,4-diamine; 4-methylbenzenesulfonic acid IUPAC Name: butane-1,4-diamine; 4-methylbenzenesulfonic acid Traditional Name: 4-aminobutylamine; tosylic acid Formula: C18H28N2O6S2 MolecularWeight: 432.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C(CCN)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C(CCN)CN

InChI

InChI=1S/2C7H8O3S.C4H12N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;5-3-1-2-4-6/h2*2-5H,1H3,(H,8,9,10);1-6H2