(2,4-dinitrophenyl)sulfanyl-ethoxy-piperidin-1-yl-methanethiol

Systemtic Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-piperidin-1-yl-methanethiol Openeye Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-(1-piperidyl)methanethiol CAS Name: [(2,4-dinitrophenyl)thio]-ethoxy-(1-piperidinyl)methanethiol IUPAC Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-piperidin-1-ylmethanethiol Traditional Name: [(2,4-dinitrophenyl)thio]-ethoxy-piperidino-methanethiol Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1CCCCC1)(S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(N1CCCCC1)(S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S2/c1-2-22-14(23,15-8-4-3-5-9-15)24-13-7-6-11(16(18)19)10-12(13)17(20)21/h6-7,10,23H,2-5,8-9H2,1H3