butan-1-amine; 2-ethoxy-5-oxidanyl-benzoate; hydrochloride

Systemtic Name: butan-1-amine; 2-ethoxy-5-oxidanyl-benzoate; hydrochloride Openeye Name: butan-1-amine; 2-ethoxy-5-hydroxy-benzoate; hydrochloride CAS Name: 1-butanamine; 2-ethoxy-5-hydroxybenzoate; hydrochloride IUPAC Name: butan-1-amine; 2-ethoxy-5-hydroxybenzoate; hydrochloride Traditional Name: butylamine; 2-ethoxy-5-hydroxy-benzoate; hydrochloride Formula: C13H21ClNO4- MolecularWeight: 290.76314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCOC1=C(C=C(C=C1)O)C(=O)[O-].Cl

Isomeric SMILES

CCCCN.CCOC1=C(C=C(C=C1)O)C(=O)[O-].Cl

InChI

InChI=1S/C9H10O4.C4H11N.ClH/c1-2-13-8-4-3-6(10)5-7(8)9(11)12;1-2-3-4-5;/h3-5,10H,2H2,1H3,(H,11,12);2-5H2,1H3;1H/p-1