benzenethiolate; triethylazanium; chloride; hydrochloride

Systemtic Name: benzenethiolate; triethylazanium; chloride; hydrochloride Openeye Name: benzenethiolate; triethylammonium; chloride; hydrochloride CAS Name: benzenethiolate; triethylammonium; chloride; hydrochloride IUPAC Name: benzenethiolate; triethylazanium; chloride; hydrochloride Traditional Name: benzenethiolate; triethylammonium; chloride; hydrochloride Formula: C12H22Cl2NS- MolecularWeight: 283.28078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1=CC=C(C=C1)[S-].Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC.C1=CC=C(C=C1)[S-].Cl.[Cl-]

InChI

InChI=1S/C6H15N.C6H6S.2ClH/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;;/h4-6H2,1-3H3;1-5,7H;2*1H/p-1