1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium

Systemtic Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium Openeye Name: acrylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium CAS Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; 2-propenoic acid; titanium IUPAC Name: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium Traditional Name: acrylic acid; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; titanium Formula: C19H27O6Ti- MolecularWeight: 399.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[Ti]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.[Ti]

InChI

InChI=1S/C10H15.3C3H4O2.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-2-3(4)5;/h1-5H3;3*2H,1H2,(H,4,5);/q-1;;;;