benzenethiol; N,N-diethylethanamine; 1,4-dioxane

Systemtic Name: benzenethiol; N,N-diethylethanamine; 1,4-dioxane Openeye Name: benzenethiol; N,N-diethylethanamine; 1,4-dioxane CAS Name: benzenethiol; N,N-diethylethanamine; 1,4-dioxane IUPAC Name: benzenethiol; N,N-diethylethanamine; 1,4-dioxane Traditional Name: benzenethiol; 1,4-dioxane; triethylamine Formula: C16H29NO2S MolecularWeight: 299.47196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1COCCO1.C1=CC=C(C=C1)S

Isomeric SMILES

CCN(CC)CC.C1COCCO1.C1=CC=C(C=C1)S

InChI

InChI=1S/C6H15N.C6H6S.C4H8O2/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;1-2-6-4-3-5-1/h4-6H2,1-3H3;1-5,7H;1-4H2