6-[bis(azanyl)methylideneamino]hexyl 2-oxidanylbenzoate; methane

Systemtic Name: 6-[bis(azanyl)methylideneamino]hexyl 2-oxidanylbenzoate; methane Openeye Name: 6-guanidinohexyl 2-hydroxybenzoate; methane CAS Name: 2-hydroxybenzoic acid 6-(diaminomethylideneamino)hexyl ester; methane IUPAC Name: 6-(diaminomethylideneamino)hexyl 2-hydroxybenzoate; methane Traditional Name: 2-hydroxybenzoic acid 6-guanidinohexyl ester; methane Formula: C15H25N3O3 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C(=C1)C(=O)OCCCCCCN=C(N)N)O

Isomeric SMILES

C.C1=CC=C(C(=C1)C(=O)OCCCCCCN=C(N)N)O

InChI

InChI=1S/C14H21N3O3.CH4/c15-14(16)17-9-5-1-2-6-10-20-13(19)11-7-3-4-8-12(11)18;/h3-4,7-8,18H,1-2,5-6,9-10H2,(H4,15,16,17);1H4