(7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethyl-sulfanium; hydrogen sulfite

Systemtic Name: (7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethyl-sulfanium; hydrogen sulfite Openeye Name: (7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethyl-sulfonium; hydrogen sulfite CAS Name: (7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethylsulfonium; hydrogen sulfite IUPAC Name: (7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethylsulfanium; hydrogen sulfite Traditional Name: (7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethyl-sulfonium dibisulfite Formula: C16H21NO6S5 MolecularWeight: 483.66604

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)[S+](C)C.OS(=O)[O-].OS(=O)[O-]

Isomeric SMILES

C[S+](C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)[S+](C)C.OS(=O)[O-].OS(=O)[O-]

InChI

InChI=1S/C16H19NS3.2H2O3S/c1-19(2)11-5-7-13-15(9-11)18-16-10-12(20(3)4)6-8-14(16)17-13;2*1-4(2)3/h5-10,17H,1-4H3;2*(H2,1,2,3)/q+2;;/p-2