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

Systemtic Name: butanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Openeye Name: butyric acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene CAS Name: butanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene IUPAC Name: butanoic acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Traditional Name: butyric acid; titanium; 1,2,3-trimethylcyclopenta-1,3-diene Formula: C20H35O6Ti- MolecularWeight: 419.3553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11.3C4H8O2.Ti/c1-6-4-5-7(2)8(6)3;3*1-2-3-4(5)6;/h4H2,1-3H3;3*2-3H2,1H3,(H,5,6);/q-1;;;;