(2,4-dinitrophenyl)sulfanyl-ethoxy-morpholin-4-yl-methanethiol

Systemtic Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-morpholin-4-yl-methanethiol Openeye Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-morpholino-methanethiol CAS Name: [(2,4-dinitrophenyl)thio]-ethoxy-(4-morpholinyl)methanethiol IUPAC Name: (2,4-dinitrophenyl)sulfanyl-ethoxy-morpholin-4-ylmethanethiol Traditional Name: [(2,4-dinitrophenyl)thio]-ethoxy-morpholino-methanethiol Formula: C13H17N3O6S2 MolecularWeight: 375.42058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1CCOCC1)(S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(N1CCOCC1)(S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O6S2/c1-2-22-13(23,14-5-7-21-8-6-14)24-12-4-3-10(15(17)18)9-11(12)16(19)20/h3-4,9,23H,2,5-8H2,1H3