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

Systemtic Name: [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; 2-pyridin-2-ylethyloxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 2-(2-pyridyl)ethyloxonium; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; 2-(2-pyridinyl)ethyloxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; 2-pyridin-2-ylethyloxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 2-(2-pyridyl)ethyloxonium; titanium Formula: C34H42N2O6Ti+4 MolecularWeight: 622.57408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O2.2C7H9NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*9-6-4-7-3-1-2-5-8-7;/h2*2-7,11H,1H3;2*1-3,5,9H,4,6H2;/p+4/b2*8-7-;;;