benzenesulfonic acid; 4-[4-(2-chloranyl-4-nitro-phenoxy)butoxy]benzenecarboximidamide

Systemtic Name: benzenesulfonic acid; 4-[4-(2-chloranyl-4-nitro-phenoxy)butoxy]benzenecarboximidamide Openeye Name: benzenesulfonic acid; 4-[4-(2-chloro-4-nitro-phenoxy)butoxy]benzamidine CAS Name: benzenesulfonic acid; 4-[4-(2-chloro-4-nitrophenoxy)butoxy]benzenecarboximidamide IUPAC Name: benzenesulfonic acid; 4-[4-(2-chloro-4-nitrophenoxy)butoxy]benzenecarboximidamide Traditional Name: besylic acid; 4-[4-(2-chloro-4-nitro-phenoxy)butoxy]benzamidine Formula: C23H24ClN3O7S MolecularWeight: 521.97056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)OCCCCOC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O4.C6H6O3S/c18-15-11-13(21(22)23)5-8-16(15)25-10-2-1-9-24-14-6-3-12(4-7-14)17(19)20;7-10(8,9)6-4-2-1-3-5-6/h3-8,11H,1-2,9-10H2,(H3,19,20);1-5H,(H,7,8,9)