[(Z)-1-(3-nitrophenyl)-3-oxidanyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: [(Z)-1-(3-nitrophenyl)-3-oxidanyl-but-2-enylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-(3-nitrophenyl)but-2-enylidene]oxonium; titanium CAS Name: [(Z)-3-hydroxy-1-(3-nitrophenyl)but-2-enylidene]oxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-(3-nitrophenyl)but-2-enylidene]oxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-(3-nitrophenyl)but-2-enylidene]oxonium; titanium Formula: C20H20N2O8Ti+2 MolecularWeight: 464.2484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=[OH+])C1=CC(=CC=C1)[N+](=O)[O-])O.CC(=CC(=[OH+])C1=CC(=CC=C1)[N+](=O)[O-])O.[Ti]

Isomeric SMILES

C/C(=C/C(=[OH+])C1=CC(=CC=C1)[N+](=O)[O-])/O.C/C(=C/C(=[OH+])C1=CC(=CC=C1)[N+](=O)[O-])/O.[Ti]

InChI

InChI=1S/2C10H9NO4.Ti/c2*1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15;/h2*2-6,12H,1H3;/p+2/b2*7-5-;