5-[2-[1,3-bis(oxidanylidene)isoindol-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-phenothiazin-3-ylidene-isoindol-2-ium-1,3-dione

Systemtic Name: 5-[2-[1,3-bis(oxidanylidene)isoindol-5-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-phenothiazin-3-ylidene-isoindol-2-ium-1,3-dione Openeye Name: 5-[1-(1,3-dioxoisoindolin-5-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenothiazin-3-ylidene-isoindolin-2-ium-1,3-dione CAS Name: 5-[2-(1,3-dioxo-5-isoindolyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(3-phenothiazinylidene)isoindol-2-ium-1,3-dione IUPAC Name: 5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenothiazin-3-ylideneisoindol-2-ium-1,3-dione Traditional Name: 5-[1-(1,3-diketoisoindolin-5-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenothiazin-3-ylidene-isoindolin-2-ium-1,3-quinone Formula: C31H14F6N3O4S+ MolecularWeight: 638.515979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=[N+]4C(=O)C5=C(C4=O)C=C(C=C5)C(C6=CC7=C(C=C6)C(=O)NC7=O)(C(F)(F)F)C(F)(F)F)C=C3S2

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=[N+]4C(=O)C5=C(C4=O)C=C(C=C5)C(C6=CC7=C(C=C6)C(=O)NC7=O)(C(F)(F)F)C(F)(F)F)C=C3S2

InChI

InChI=1S/C31H13F6N3O4S/c32-30(33,34)29(31(35,36)37,14-5-8-17-19(11-14)26(42)39-25(17)41)15-6-9-18-20(12-15)28(44)40(27(18)43)16-7-10-22-24(13-16)45-23-4-2-1-3-21(23)38-22/h1-13H/p+1