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

Systemtic Name: [(Z)-3-oxidanyl-1-phenyl-but-2-enylidene]oxidanium; quinolin-4-yloxidanium; titanium Openeye Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 4-quinolyloxonium; titanium CAS Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxonium; 4-quinolinyloxonium; titanium IUPAC Name: [(Z)-3-hydroxy-1-phenylbut-2-enylidene]oxidanium; quinolin-4-yloxidanium; titanium Traditional Name: [(Z)-3-hydroxy-1-phenyl-but-2-enylidene]oxonium; 4-quinolyloxonium; titanium Formula: C38H38N2O6Ti+4 MolecularWeight: 666.58512

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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=C2C(=C1)C(=CC=N2)[OH2+].C1=CC=C2C(=C1)C(=CC=N2)[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=C2N=CC=C(C2=C1)[OH2+].C1=CC=C2N=CC=C(C2=C1)[OH2+].[Ti]

InChI

InChI=1S/2C10H10O2.2C9H7NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*11-9-5-6-10-8-4-2-1-3-7(8)9;/h2*2-7,11H,1H3;2*1-6H,(H,10,11);/p+4/b2*8-7-;;;