4-[bis(azanyl)methylideneamino]benzoic acid; 2-hexylphenol

Systemtic Name: 4-[bis(azanyl)methylideneamino]benzoic acid; 2-hexylphenol Openeye Name: 4-guanidinobenzoic acid; 2-hexylphenol CAS Name: 4-(diaminomethylideneamino)benzoic acid; 2-hexylphenol IUPAC Name: 4-(diaminomethylideneamino)benzoic acid; 2-hexylphenol Traditional Name: 4-guanidinobenzoic acid; 2-hexylphenol Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1O.C1=CC(=CC=C1C(=O)O)N=C(N)N

Isomeric SMILES

CCCCCCC1=CC=CC=C1O.C1=CC(=CC=C1C(=O)O)N=C(N)N

InChI

InChI=1S/C12H18O.C8H9N3O2/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;9-8(10)11-6-3-1-5(2-4-6)7(12)13/h6-7,9-10,13H,2-5,8H2,1H3;1-4H,(H,12,13)(H4,9,10,11)