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S-dodecyl 3,5-dinitrobenzenecarbothioate

S-dodecyl 3,5-dinitrobenzenecarbothioate

Systemtic Name:S-dodecyl 3,5-dinitrobenzenecarbothioate
Openeye Name:S-dodecyl 3,5-dinitrobenzenecarbothioate
CAS Name:3,5-dinitrobenzenecarbothioic acid S-dodecyl ester
IUPAC Name:S-dodecyl 3,5-dinitrobenzenecarbothioate
Traditional Name:3,5-dinitrothiobenzoic acid S-lauryl ester
Formula: C19H28N2O5S
MolecularWeight: 396.50102
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C19H28N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-27-19(22)16-13-17(20(23)24)15-18(14-16)21(25)26/h13-15H,2-12H2,1H3


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