butane; 16-methylheptadecanoic acid; 2-methylprop-2-enoic acid; oxidanylidenetitanium

Systemtic Name: butane; 16-methylheptadecanoic acid; 2-methylprop-2-enoic acid; oxidanylidenetitanium Openeye Name: butane; 16-methylheptadecanoic acid; 2-methylprop-2-enoic acid; oxotitanium CAS Name: butane; 16-methylheptadecanoic acid; 2-methyl-2-propenoic acid; oxotitanium IUPAC Name: butane; 16-methylheptadecanoic acid; 2-methylprop-2-enoic acid; oxotitanium Traditional Name: butane; ketotitanium; methacrylic acid; 16-methylheptadecanoic acid Formula: C30H60O5Ti-2 MolecularWeight: 548.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC(C)CCCCCCCCCCCCCCC(=O)O.CC(=C)C(=O)O.O=[Ti]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC(C)CCCCCCCCCCCCCCC(=O)O.CC(=C)C(=O)O.O=[Ti]

InChI

InChI=1S/C18H36O2.C4H6O2.2C4H9.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3(2)4(5)6;2*1-3-4-2;;/h17H,3-16H2,1-2H3,(H,19,20);1H2,2H3,(H,5,6);2*1,3-4H2,2H3;;/q;;2*-1;;