4-oxidaniumylidenepentan-2-ylideneoxidanium; titanium

Systemtic Name: 4-oxidaniumylidenepentan-2-ylideneoxidanium; titanium Openeye Name: (1-methyl-3-oxoniumylidene-butylidene)oxonium; titanium CAS Name: 4-oxoniumylidenepentan-2-ylideneoxonium; titanium IUPAC Name: 4-oxoniumylidenepentan-2-ylideneoxidanium; titanium Traditional Name: (1-methyl-3-oxoniumylidene-butylidene)oxonium; titanium Formula: C10H18O4Ti+6 MolecularWeight: 250.11452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H7O2.Ti/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*+1;/p+4