9-(4-cyanophenyl)-3,5-bis(oxidanyl)nonanoic acid; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

Systemtic Name: 9-(4-cyanophenyl)-3,5-bis(oxidanyl)nonanoic acid; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate Openeye Name: 9-(4-cyanophenyl)-3,5-dihydroxy-nonanoic acid; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate CAS Name: 9-(4-cyanophenyl)-3,5-dihydroxynonanoic acid; N,N-diethylcarbamodithioic acid [[diethylamino(sulfanylidene)methyl]thio] ester IUPAC Name: 9-(4-cyanophenyl)-3,5-dihydroxynonanoic acid; diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate Traditional Name: 9-(4-cyanophenyl)-3,5-dihydroxy-pelargonic acid; N,N-diethylcarbamodithioic acid (diethylthiocarbamoylthio) ester Formula: C26H41N3O4S4 MolecularWeight: 587.88144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SSC(=S)N(CC)CC.C1=CC(=CC=C1CCCCC(CC(CC(=O)O)O)O)C#N

Isomeric SMILES

CCN(CC)C(=S)SSC(=S)N(CC)CC.C1=CC(=CC=C1CCCCC(CC(CC(=O)O)O)O)C#N

InChI

InChI=1S/C16H21NO4.C10H20N2S4/c17-11-13-7-5-12(6-8-13)3-1-2-4-14(18)9-15(19)10-16(20)21;1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8,14-15,18-19H,1-4,9-10H2,(H,20,21);5-8H2,1-4H3