16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxidanylidenetitanium; propane

Systemtic Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxidanylidenetitanium; propane Openeye Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxotitanium; propane CAS Name: 16-methylheptadecanoic acid; 2-methyl-2-propen-1-one; oxotitanium; propane IUPAC Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxotitanium; propane Traditional Name: ketotitanium; 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; propane Formula: C43H84O6Ti-2 MolecularWeight: 744.99046

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(=C)[C-]=O.O=[Ti]

Isomeric SMILES

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(=C)[C-]=O.O=[Ti]

InChI

InChI=1S/2C18H36O2.C4H5O.C3H7.O.Ti/c2*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-4(2)3-5;1-3-2;;/h2*17H,3-16H2,1-2H3,(H,19,20);1H2,2H3;3H,1-2H3;;/q;;2*-1;;