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

Systemtic Name: 2-ethoxyethyloxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: 2-ethoxyethyloxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium CAS Name: 2-ethoxyethyloxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium IUPAC Name: 2-ethoxyethyloxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium Traditional Name: 2-ethoxyethyloxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium Formula: C28H44O8Ti+4 MolecularWeight: 556.51116

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[OH2+].CCOCC[OH2+].CC(=CC(=[OH+])C1=CC=CC=C1)O.CC(=CC(=[OH+])C1=CC=CC=C1)O.[Ti]

Isomeric SMILES

CCOCC[OH2+].CCOCC[OH2+].C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.C/C(=C/C(=[OH+])C1=CC=CC=C1)/O.[Ti]

InChI

InChI=1S/2C10H10O2.2C4H10O2.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-6-4-3-5;/h2*2-7,11H,1H3;2*5H,2-4H2,1H3;/p+4/b2*8-7-;;;