1-[2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]phenyl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[2-[3,6-bis(oxidanyl)xanthen-10-ium-9-yl]phenyl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[2-(3,6-dihydroxyxanthen-10-ium-9-yl)phenyl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[2-(3,6-dihydroxy-9-xanthen-10-iumyl)phenyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[2-(3,6-dihydroxyxanthen-10-ium-9-yl)phenyl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[2-(3,6-dihydroxyxanthen-10-ium-9-yl)phenyl]-2-(4-nitrophenyl)ethanone Formula: C27H18NO6+ MolecularWeight: 452.43492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=CC3=[O+]C4=C2C=CC(=C4)O)O)C(=O)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H17NO6/c29-18-9-11-22-25(14-18)34-26-15-19(30)10-12-23(26)27(22)21-4-2-1-3-20(21)24(31)13-16-5-7-17(8-6-16)28(32)33/h1-12,14-15H,13H2,(H-,29,30)/p+1