dodecyl 2-dodecyl-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate

Systemtic Name: dodecyl 2-dodecyl-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbodithioate Openeye Name: dodecyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate CAS Name: 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioic acid dodecyl ester IUPAC Name: dodecyl 2-dodecyl-5-methyl-3-oxo-1H-pyrazole-4-carbodithioate Traditional Name: 5-keto-1-lauryl-3-methyl-3-pyrazoline-4-carbodithioic acid lauryl ester Formula: C29H54N2OS2 MolecularWeight: 510.88186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCCCCCC

InChI

InChI=1S/C29H54N2OS2/c1-4-6-8-10-12-14-16-18-20-22-24-31-28(32)27(26(3)30-31)29(33)34-25-23-21-19-17-15-13-11-9-7-5-2/h30H,4-25H2,1-3H3