ethyloxidanium; [2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium

Systemtic Name: ethyloxidanium; [2-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: ethyloxonium; (2-hydroxy-9,10-dioxo-1-anthryl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium CAS Name: ethyloxonium; (2-hydroxy-9,10-dioxo-1-anthracenyl)oxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium IUPAC Name: ethyloxidanium; (2-hydroxy-9,10-dioxoanthracen-1-yl)oxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium Traditional Name: ethyloxonium; (2-hydroxy-9,10-diketo-1-anthryl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium Formula: C36H38O9Ti+4 MolecularWeight: 662.54852

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Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[OH2+].[Ti]

Isomeric SMILES

CC[OH2+].C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C1=CC=C2C(=O)C3=C(C(=O)C2=C1)C=CC(=C3[OH2+])O.[Ti]

InChI

InChI=1S/C14H8O4.2C10H10O2.C2H6O.Ti/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16;2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-3;/h1-6,15,18H;2*2-7,11H,1H3;3H,2H2,1H3;/p+4/b;2*8-7-;;