bis(oxidanyl)-oxidanylidene-titanium; 16-methylheptadecan-1-one; propane; prop-2-enoic acid

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 16-methylheptadecan-1-one; propane; prop-2-enoic acid Openeye Name: acrylic acid; dihydroxy(oxo)titanium; 16-methylheptadecan-1-one; propane CAS Name: dihydroxy(oxo)titanium; 16-methyl-1-heptadecanone; propane; 2-propenoic acid IUPAC Name: dihydroxy(oxo)titanium; 16-methylheptadecan-1-one; propane; prop-2-enoic acid Traditional Name: acrylic acid; dihydroxy(keto)titanium; 16-methylheptadecan-1-one; propane Formula: C27H52O8Ti-2 MolecularWeight: 552.56398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35O.2C3H4O2.C3H7.2H2O.O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;2*1-2-3(4)5;1-3-2;;;;/h18H,3-16H2,1-2H3;2*2H,1H2,(H,4,5);3H,1-2H3;2*1H2;;/q-1;;;-1;;;;+2/p-2