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

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-2-phenothiazin-3-ylidene-isoindol-2-ium-1,3-dione Openeye Name: 5-(1,3-dioxoisoindoline-5-carbonyl)-2-phenothiazin-3-ylidene-isoindolin-2-ium-1,3-dione CAS Name: 5-[(1,3-dioxo-5-isoindolyl)-oxomethyl]-2-(3-phenothiazinylidene)isoindol-2-ium-1,3-dione IUPAC Name: 5-(1,3-dioxoisoindole-5-carbonyl)-2-phenothiazin-3-ylideneisoindol-2-ium-1,3-dione Traditional Name: 5-(1,3-diketoisoindoline-5-carbonyl)-2-phenothiazin-3-ylidene-isoindolin-2-ium-1,3-quinone Formula: C29H14N3O5S+ MolecularWeight: 516.50356

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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(=O)C6=CC7=C(C=C6)C(=O)NC7=O)C=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C29H13N3O5S/c33-25(14-5-8-17-19(11-14)27(35)31-26(17)34)15-6-9-18-20(12-15)29(37)32(28(18)36)16-7-10-22-24(13-16)38-23-4-2-1-3-21(23)30-22/h1-13H/p+1