bis(2-hydroxyethyl)-phenacyl-sulfanium; N-butyl-N-ethoxy-butan-1-amine; bromide

Systemtic Name: bis(2-hydroxyethyl)-phenacyl-sulfanium; N-butyl-N-ethoxy-butan-1-amine; bromide Openeye Name: bis(2-hydroxyethyl)-phenacyl-sulfonium; N-butyl-N-ethoxy-butan-1-amine; bromide CAS Name: bis(2-hydroxyethyl)-phenacylsulfonium; N-butyl-N-ethoxy-1-butanamine; bromide IUPAC Name: bis(2-hydroxyethyl)-phenacylsulfanium; N-butyl-N-ethoxybutan-1-amine; bromide Traditional Name: bis(2-hydroxyethyl)-phenacyl-sulfonium; dibutyl(ethoxy)amine; bromide Formula: C22H40BrNO4S MolecularWeight: 494.5263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)OCC.C1=CC=C(C=C1)C(=O)C[S+](CCO)CCO.[Br-]

Isomeric SMILES

CCCCN(CCCC)OCC.C1=CC=C(C=C1)C(=O)C[S+](CCO)CCO.[Br-]

InChI

InChI=1S/C12H17O3S.C10H23NO.BrH/c13-6-8-16(9-7-14)10-12(15)11-4-2-1-3-5-11;1-4-7-9-11(12-6-3)10-8-5-2;/h1-5,13-14H,6-10H2;4-10H2,1-3H3;1H/q+1;;/p-1