10-butyl-3,7-dinitro-phenothiazine 5-oxide

Systemtic Name: 10-butyl-3,7-dinitro-phenothiazine 5-oxide Openeye Name: 10-butyl-3,7-dinitro-phenothiazine 5-oxide CAS Name: 10-butyl-3,7-dinitrophenothiazine 5-oxide IUPAC Name: 10-butyl-3,7-dinitrophenothiazine 5-oxide Traditional Name: 10-butyl-3,7-dinitro-phenothiazine 5-oxide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)C3=C1C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)C3=C1C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-2-3-8-17-13-6-4-11(18(20)21)9-15(13)25(24)16-10-12(19(22)23)5-7-14(16)17/h4-7,9-10H,2-3,8H2,1H3