2,3-dimethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium

Systemtic Name: 2,3-dimethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium Openeye Name: acrylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium CAS Name: 2,3-dimethylcyclopenta-1,3-diene; 2-propenoic acid; titanium IUPAC Name: 2,3-dimethylcyclopenta-1,3-diene; prop-2-enoic acid; titanium Traditional Name: acrylic acid; 2,3-dimethylcyclopenta-1,3-diene; titanium Formula: C16H21O6Ti- MolecularWeight: 357.20134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9.3C3H4O2.Ti/c1-6-4-3-5-7(6)2;3*1-2-3(4)5;/h4H,3H2,1-2H3;3*2H,1H2,(H,4,5);/q-1;;;;