2-[2-(2,10-dicyanophenothiazin-10-ium-10-yl)propoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-(2,10-dicyanophenothiazin-10-ium-10-yl)propoxycarbonyl]benzoic acid Openeye Name: 2-[2-(2,10-dicyanophenothiazin-10-ium-10-yl)propoxycarbonyl]benzoic acid CAS Name: 2-[2-(2,10-dicyano-10-phenothiazin-10-iumyl)propoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2,10-dicyanophenothiazin-10-ium-10-yl)propoxycarbonyl]benzoic acid Traditional Name: 2-[2-(2,10-dicyanophenothiazin-10-ium-10-yl)propoxycarbonyl]benzoic acid Formula: C25H18N3O4S+ MolecularWeight: 456.49312

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1C(=O)O)[N+]2(C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)C#N

Isomeric SMILES

CC(COC(=O)C1=CC=CC=C1C(=O)O)[N+]2(C3=CC=CC=C3SC4=C2C=C(C=C4)C#N)C#N

InChI

InChI=1S/C25H17N3O4S/c1-16(14-32-25(31)19-7-3-2-6-18(19)24(29)30)28(15-27)20-8-4-5-9-22(20)33-23-11-10-17(13-26)12-21(23)28/h2-12,16H,14H2,1H3/p+1