ethyloxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium; (3,5,7-trimethyl-1-adamantyl)oxidanium

Systemtic Name: ethyloxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium; (3,5,7-trimethyl-1-adamantyl)oxidanium Openeye Name: ethyloxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium; (3,5,7-trimethyl-1-adamantyl)oxonium CAS Name: ethyloxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium; (3,5,7-trimethyl-1-adamantyl)oxonium IUPAC Name: ethyloxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium; (3,5,7-trimethyl-1-adamantyl)oxidanium Traditional Name: ethyloxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium; (3,5,7-trimethyl-1-adamantyl)oxonium Formula: C35H52O6Ti+4 MolecularWeight: 616.65078

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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.CC12CC3(CC(C1)(CC(C2)(C3)[OH2+])C)C.[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.CC12CC3(CC(C1)(CC(C2)(C3)C)C)[OH2+].[Ti]

InChI

InChI=1S/C13H22O.2C10H10O2.C2H6O.Ti/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;2*1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-3;/h14H,4-9H2,1-3H3;2*2-7,11H,1H3;3H,2H2,1H3;/p+4/b;2*8-7-;;