4-oxidaniumylidenepentan-2-ylideneoxidanium; phenyloxidanium; titanium

Systemtic Name: 4-oxidaniumylidenepentan-2-ylideneoxidanium; phenyloxidanium; titanium Openeye Name: (1-methyl-3-oxoniumylidene-butylidene)oxonium; phenyloxonium; titanium CAS Name: 4-oxoniumylidenepentan-2-ylideneoxonium; phenyloxonium; titanium IUPAC Name: 4-oxoniumylidenepentan-2-ylideneoxidanium; phenyloxidanium; titanium Traditional Name: (1-methyl-3-oxoniumylidene-butylidene)oxonium; phenyloxonium; titanium Formula: C22H32O6Ti+8 MolecularWeight: 440.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O.2C5H7O2.Ti/c2*7-6-4-2-1-3-5-6;2*1-4(6)3-5(2)7;/h2*1-5,7H;2*3H,1-2H3;/q;;2*+1;/p+6