ethyloxidanium; [(1-oxidaniumylidene-3-oxidanylidene-inden-2-ylidene)-phenyl-methyl]oxidanium; titanium

Systemtic Name: ethyloxidanium; [(1-oxidaniumylidene-3-oxidanylidene-inden-2-ylidene)-phenyl-methyl]oxidanium; titanium Openeye Name: ethyloxonium; [3-oxo-2-[oxonio(phenyl)methylene]indan-1-ylidene]oxonium; titanium CAS Name: ethyloxonium; [3-oxo-2-[oxonio(phenyl)methylidene]-1-indenylidene]oxonium; titanium IUPAC Name: ethyloxidanium; [3-oxo-2-[oxonio(phenyl)methylidene]inden-1-ylidene]oxidanium; titanium Traditional Name: ethyloxonium; [3-keto-2-[oxonio(phenyl)methylene]indan-1-ylidene]oxonium; titanium Formula: C36H38O8Ti+6 MolecularWeight: 646.54912

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].C1=CC=C(C=C1)C(=C2C(=[OH+])C3=CC=CC=C3C2=O)[OH2+].C1=CC=C(C=C1)C(=C2C(=[OH+])C3=CC=CC=C3C2=O)[OH2+].[Ti]

Isomeric SMILES

CC[OH2+].CC[OH2+].C1=CC=C(C=C1)C(=C2C(=[OH+])C3=CC=CC=C3C2=O)[OH2+].C1=CC=C(C=C1)C(=C2C(=[OH+])C3=CC=CC=C3C2=O)[OH2+].[Ti]

InChI

InChI=1S/2C16H10O3.2C2H6O.Ti/c2*17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19;2*1-2-3;/h2*1-9,17H;2*3H,2H2,1H3;/p+6