(4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; pyridin-2-yloxidanium; titanium

Systemtic Name: (4-oxidaniumylidene-4-phenyl-butan-2-ylidene)oxidanium; pyridin-2-yloxidanium; titanium Openeye Name: (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; 2-pyridyloxonium; titanium CAS Name: (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxonium; 2-pyridinyloxonium; titanium IUPAC Name: (4-oxoniumylidene-4-phenylbutan-2-ylidene)oxidanium; pyridin-2-yloxidanium; titanium Traditional Name: (1-methyl-3-oxoniumylidene-3-phenyl-propylidene)oxonium; 2-pyridyloxonium; titanium Formula: C30H34N2O6Ti+8 MolecularWeight: 566.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H9O2.2C5H5NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*7-5-3-1-2-4-6-5;/h2*2-7H,1H3;2*1-4H,(H,6,7);/q2*+1;;;/p+6