2,2-diethylpropanedioate; N,N-diphenylcarbamodithioate

Systemtic Name: 2,2-diethylpropanedioate; N,N-diphenylcarbamodithioate Openeye Name: 2,2-diethylpropanedioate; N,N-diphenylcarbamodithioate CAS Name: 2,2-diethylpropanedioate; N,N-diphenylcarbamodithioate IUPAC Name: 2,2-diethylpropanedioate; N,N-diphenylcarbamodithioate Traditional Name: 2,2-diethylmalonate; N,N-diphenylcarbamodithioate Formula: C20H20NO4S2-3 MolecularWeight: 402.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)[S-]

Isomeric SMILES

CCC(CC)(C(=O)[O-])C(=O)[O-].C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)[S-]

InChI

InChI=1S/C13H11NS2.C7H12O4/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7(4-2,5(8)9)6(10)11/h1-10H,(H,15,16);3-4H2,1-2H3,(H,8,9)(H,10,11)/p-3