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

Systemtic Name: benzoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Openeye Name: benzoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene CAS Name: benzoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene IUPAC Name: benzoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Traditional Name: benzoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Formula: C29H29O6Ti- MolecularWeight: 521.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[C-]C1)C)C.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(C(=[C-]C1)C)C.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/C8H11.3C7H6O2.Ti/c1-6-4-5-7(2)8(6)3;3*8-7(9)6-4-2-1-3-5-6;/h4H2,1-3H3;3*1-5H,(H,8,9);/q-1;;;;