16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxidanylidenetitanium; propan-2-ol

Systemtic Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxidanylidenetitanium; propan-2-ol Openeye Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxotitanium; propan-2-ol CAS Name: 16-methylheptadecanoic acid; 2-methyl-2-propen-1-one; oxotitanium; 2-propanol IUPAC Name: 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; oxotitanium; propan-2-ol Traditional Name: ketotitanium; 16-methylheptadecanoic acid; 2-methylprop-2-en-1-one; propan-2-ol Formula: C29H54O6Ti-2 MolecularWeight: 546.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.2C4H5O.C3H8O.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-4(2)3-5;1-3(2)4;;/h17H,3-16H2,1-2H3,(H,19,20);2*1H2,2H3;3-4H,1-2H3;;/q;2*-1;;;