1-[2,7-bis(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate

Systemtic Name: 1-[2,7-bis(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Openeye Name: 1-[2,7-bis(3-methyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate CAS Name: 1-[2,7-bis(3-methyl-2-pyridinyl)-10-phenothiazinyl]-1-propanesulfonate IUPAC Name: 1-[2,7-bis(3-methylpyridin-2-yl)phenothiazin-10-yl]propane-1-sulfonate Traditional Name: 1-[2,7-bis(3-methyl-2-pyridyl)phenothiazin-10-yl]propane-1-sulfonate Formula: C27H24N3O3S2- MolecularWeight: 502.62776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=C(C=C(C=C2)C3=C(C=CC=N3)C)SC4=C1C=C(C=C4)C5=C(C=CC=N5)C)S(=O)(=O)[O-]

Isomeric SMILES

CCC(N1C2=C(C=C(C=C2)C3=C(C=CC=N3)C)SC4=C1C=C(C=C4)C5=C(C=CC=N5)C)S(=O)(=O)[O-]

InChI

InChI=1S/C27H25N3O3S2/c1-4-25(35(31,32)33)30-21-11-9-20(27-18(3)8-6-14-29-27)16-24(21)34-23-12-10-19(15-22(23)30)26-17(2)7-5-13-28-26/h5-16,25H,4H2,1-3H3,(H,31,32,33)/p-1