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

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

Systemtic Name:ethanesulfonic acid; 1-octyl-4-(phenylmethyl)-1,2,3,4-tetrazolidin-5-imine
Openeye Name:1-benzyl-4-octyl-tetrazolidin-5-imine; ethanesulfonic acid
CAS Name:ethanesulfonic acid; 1-octyl-4-(phenylmethyl)-5-tetrazolidinimine
IUPAC Name:1-benzyl-4-octyltetrazolidin-5-imine; ethanesulfonic acid
Traditional Name:(1-benzyl-4-octyl-tetrazolidin-5-ylidene)amine; esylic acid
Formula: C18H33N5O3S
MolecularWeight: 399.55132
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H27N5.C2H6O3S/c1-2-3-4-5-6-10-13-20-16(17)21(19-18-20)14-15-11-8-7-9-12-15;1-2-6(3,4)5/h7-9,11-12,17-19H,2-6,10,13-14H2,1H3;2H2,1H3,(H,3,4,5)


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