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

Systemtic Name: (4-dimethylaminophenyl)oxidanium; [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; titanium Openeye Name: (4-dimethylaminophenyl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium CAS Name: (4-dimethylaminophenyl)oxonium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; titanium IUPAC Name: (4-dimethylaminophenyl)oxidanium; [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; titanium Traditional Name: (4-dimethylaminophenyl)oxonium; [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; titanium Formula: C36H46N2O6Ti+4 MolecularWeight: 650.62724

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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.CN(C)C1=CC=C(C=C1)[OH2+].CN(C)C1=CC=C(C=C1)[OH2+].[Ti]

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O2.2C8H11NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-9(2)7-3-5-8(10)6-4-7;/h2*2-7,11H,1H3;2*3-6,10H,1-2H3;/p+4/b2*8-7-;;;