S-(3-phenylpropyl) 3,5-dinitrobenzenecarbothioate hydrochloride

Systemtic Name: S-(3-phenylpropyl) 3,5-dinitrobenzenecarbothioate hydrochloride Openeye Name: S-(3-phenylpropyl) 3,5-dinitrobenzenecarbothioate hydrochloride CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(3-phenylpropyl) ester hydrochloride IUPAC Name: S-(3-phenylpropyl) 3,5-dinitrobenzenecarbothioate hydrochloride Traditional Name: 3,5-dinitrothiobenzoic acid S-(3-phenylpropyl) ester hydrochloride Formula: C16H15ClN2O5S MolecularWeight: 382.8187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C16H14N2O5S.ClH/c19-16(24-8-4-7-12-5-2-1-3-6-12)13-9-14(17(20)21)11-15(10-13)18(22)23;/h1-3,5-6,9-11H,4,7-8H2;1H