methanesulfonic acid; 1-octyl-4-(phenylmethyl)-1,2,3,4-tetrazolidin-5-imine

Systemtic Name: methanesulfonic acid; 1-octyl-4-(phenylmethyl)-1,2,3,4-tetrazolidin-5-imine Openeye Name: 1-benzyl-4-octyl-tetrazolidin-5-imine; methanesulfonic acid CAS Name: methanesulfonic acid; 1-octyl-4-(phenylmethyl)-5-tetrazolidinimine IUPAC Name: 1-benzyl-4-octyltetrazolidin-5-imine; methanesulfonic acid Traditional Name: (1-benzyl-4-octyl-tetrazolidin-5-ylidene)amine; mesylic acid Formula: C17H31N5O3S MolecularWeight: 385.52474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)N(NN1)CC2=CC=CC=C2.CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCN1C(=N)N(NN1)CC2=CC=CC=C2.CS(=O)(=O)O

InChI

InChI=1S/C16H27N5.CH4O3S/c1-2-3-4-5-6-10-13-20-16(17)21(19-18-20)14-15-11-8-7-9-12-15;1-5(2,3)4/h7-9,11-12,17-19H,2-6,10,13-14H2,1H3;1H3,(H,2,3,4)