benzoic acid; 2-methylcyclopenta-1,3-diene; titanium

Systemtic Name: benzoic acid; 2-methylcyclopenta-1,3-diene; titanium Openeye Name: benzoic acid; 2-methylcyclopenta-1,3-diene; titanium CAS Name: benzoic acid; 2-methylcyclopenta-1,3-diene; titanium IUPAC Name: benzoic acid; 2-methylcyclopenta-1,3-diene; titanium Traditional Name: benzoic acid; 2-methylcyclopenta-1,3-diene; titanium Formula: C27H25O6Ti- MolecularWeight: 493.3508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti]

Isomeric SMILES

CC1=[C-]CC=C1.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.[Ti]

InChI

InChI=1S/3C7H6O2.C6H7.Ti/c3*8-7(9)6-4-2-1-3-5-6;1-6-4-2-3-5-6;/h3*1-5H,(H,8,9);2,4H,3H2,1H3;/q;;;-1;