4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 4-oxidanylbenzoic acid

Systemtic Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 4-oxidanylbenzoic acid Openeye Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine; 4-hydroxybenzoic acid CAS Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 4-hydroxybenzoic acid IUPAC Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 4-hydroxybenzoic acid Traditional Name: 4-[6-(4-amidinophenoxy)hexoxy]benzamidine; 4-hydroxybenzoic acid Formula: C47H58N8O7 MolecularWeight: 847.01282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)O.C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)O.C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/2C20H26N4O2.C7H6O3/c2*21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;8-6-3-1-5(2-4-6)7(9)10/h2*5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);1-4,8H,(H,9,10)