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

Systemtic Name: 2-oxidaniumylethanoate; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 2-oxonioacetate; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; 2-oxonioacetate; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; 2-oxonioacetate; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 2-oxonioacetate; titanium Formula: C24H30O10Ti+2 MolecularWeight: 526.356

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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.C(C(=O)[O-])[OH2+].C(C(=O)[O-])[OH2+].[Ti]

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O2.2C2H4O3.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*3-1-2(4)5;/h2*2-7,11H,1H3;2*3H,1H2,(H,4,5);/p+2/b2*8-7-;;;