1-(4-hexylphenyl)-1-[(4-hexylphenyl)methyl]guanidine; methanesulfonic acid

Systemtic Name: 1-(4-hexylphenyl)-1-[(4-hexylphenyl)methyl]guanidine; methanesulfonic acid Openeye Name: 1-(4-hexylphenyl)-1-[(4-hexylphenyl)methyl]guanidine; methanesulfonic acid CAS Name: 1-(4-hexylphenyl)-1-[(4-hexylphenyl)methyl]guanidine; methanesulfonic acid IUPAC Name: 1-(4-hexylphenyl)-1-[(4-hexylphenyl)methyl]guanidine; methanesulfonic acid Traditional Name: 1-(4-hexylbenzyl)-1-(4-hexylphenyl)guanidine; mesylic acid Formula: C27H43N3O3S MolecularWeight: 489.71362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CN(C2=CC=C(C=C2)CCCCCC)C(=N)N.CS(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CN(C2=CC=C(C=C2)CCCCCC)C(=N)N.CS(=O)(=O)O

InChI

InChI=1S/C26H39N3.CH4O3S/c1-3-5-7-9-11-22-13-15-24(16-14-22)21-29(26(27)28)25-19-17-23(18-20-25)12-10-8-6-4-2;1-5(2,3)4/h13-20H,3-12,21H2,1-2H3,(H3,27,28);1H3,(H,2,3,4)