benzoic acid; 1-butylsulfanyl-3-(dibutylamino)propan-2-ol; hydrochloride

Systemtic Name: benzoic acid; 1-butylsulfanyl-3-(dibutylamino)propan-2-ol; hydrochloride Openeye Name: benzoic acid; 1-butylsulfanyl-3-(dibutylamino)propan-2-ol; hydrochloride CAS Name: benzoic acid; 1-(butylthio)-3-(dibutylamino)-2-propanol; hydrochloride IUPAC Name: benzoic acid; 1-butylsulfanyl-3-(dibutylamino)propan-2-ol; hydrochloride Traditional Name: benzoic acid; 1-(butylthio)-3-(dibutylamino)propan-2-ol; hydrochloride Formula: C22H40ClNO3S MolecularWeight: 434.0759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(CSCCCC)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC(CSCCCC)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C15H33NOS.C7H6O2.ClH/c1-4-7-10-16(11-8-5-2)13-15(17)14-18-12-9-6-3;8-7(9)6-4-2-1-3-5-6;/h15,17H,4-14H2,1-3H3;1-5H,(H,8,9);1H