16-methylheptadecanoic acid; oxidanylidenetitanium; prop-2-enoic acid

Systemtic Name: 16-methylheptadecanoic acid; oxidanylidenetitanium; prop-2-enoic acid Openeye Name: acrylic acid; 16-methylheptadecanoic acid; oxotitanium CAS Name: 16-methylheptadecanoic acid; oxotitanium; 2-propenoic acid IUPAC Name: 16-methylheptadecanoic acid; oxotitanium; prop-2-enoic acid Traditional Name: acrylic acid; ketotitanium; 16-methylheptadecanoic acid Formula: C21H40O5Ti MolecularWeight: 420.4063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C3H4O2.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-2-3(4)5;;/h17H,3-16H2,1-2H3,(H,19,20);2H,1H2,(H,4,5);;