4-chloranylbenzoic acid; 2-(dibutylamino)ethanol; hydrochloride

Systemtic Name: 4-chloranylbenzoic acid; 2-(dibutylamino)ethanol; hydrochloride Openeye Name: 4-chlorobenzoic acid; 2-(dibutylamino)ethanol; hydrochloride CAS Name: 4-chlorobenzoic acid; 2-(dibutylamino)ethanol; hydrochloride IUPAC Name: 4-chlorobenzoic acid; 2-(dibutylamino)ethanol; hydrochloride Traditional Name: 4-chlorobenzoic acid; 2-(dibutylamino)ethanol; hydrochloride Formula: C17H29Cl2NO3 MolecularWeight: 366.32306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCO.C1=CC(=CC=C1C(=O)O)Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCO.C1=CC(=CC=C1C(=O)O)Cl.Cl

InChI

InChI=1S/C10H23NO.C7H5ClO2.ClH/c1-3-5-7-11(9-10-12)8-6-4-2;8-6-3-1-5(2-4-6)7(9)10;/h12H,3-10H2,1-2H3;1-4H,(H,9,10);1H