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