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16-methylheptadecanoic acid; 4-methyl-2-methylidene-pentanoic acid; oxidanylidenetitanium

16-methylheptadecanoic acid; 4-methyl-2-methylidene-pentanoic acid; oxidanylidenetitanium

Systemtic Name:16-methylheptadecanoic acid; 4-methyl-2-methylidene-pentanoic acid; oxidanylidenetitanium
Openeye Name:16-methylheptadecanoic acid; 4-methyl-2-methylene-pentanoic acid; oxotitanium
CAS Name:16-methylheptadecanoic acid; 4-methyl-2-methylenepentanoic acid; oxotitanium
IUPAC Name:16-methylheptadecanoic acid; 4-methyl-2-methylidenepentanoic acid; oxotitanium
Traditional Name:2-isobutylacrylic acid; ketotitanium; 16-methylheptadecanoic acid
Formula: C25H48O5Ti
MolecularWeight: 476.51262
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H36O2.C7H12O2.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-5(2)4-6(3)7(8)9;;/h17H,3-16H2,1-2H3,(H,19,20);5H,3-4H2,1-2H3,(H,8,9);;


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