10-butyl-3,7-dinitro-phenothiazine

Systemtic Name: 10-butyl-3,7-dinitro-phenothiazine Openeye Name: 10-butyl-3,7-dinitro-phenothiazine CAS Name: 10-butyl-3,7-dinitrophenothiazine IUPAC Name: 10-butyl-3,7-dinitrophenothiazine Traditional Name: 10-butyl-3,7-dinitro-phenothiazine Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-2-3-8-17-13-6-4-11(18(20)21)9-15(13)24-16-10-12(19(22)23)5-7-14(16)17/h4-7,9-10H,2-3,8H2,1H3