2-oxidanylethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)propanediimidamide

Systemtic Name: 2-oxidanylethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)propanediimidamide Openeye Name: 2-hydroxyethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)propanediamidine CAS Name: 2-hydroxyethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)propanediimidamide IUPAC Name: 2-hydroxyethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)propanediimidamide Traditional Name: 2-hydroxyethanesulfonic acid; 2-phenoxy-2-(1-phenoxybutyl)malonamidine Formula: C23H36N4O10S2 MolecularWeight: 592.68274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=N)N)(C(=N)N)OC1=CC=CC=C1)OC2=CC=CC=C2.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

Isomeric SMILES

CCCC(C(C(=N)N)(C(=N)N)OC1=CC=CC=C1)OC2=CC=CC=C2.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C19H24N4O2.2C2H6O4S/c1-2-9-16(24-14-10-5-3-6-11-14)19(17(20)21,18(22)23)25-15-12-7-4-8-13-15;2*3-1-2-7(4,5)6/h3-8,10-13,16H,2,9H2,1H3,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)