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

Systemtic Name: butanoic acid; 2-methylcyclopenta-1,3-diene; titanium Openeye Name: butyric acid; 2-methylcyclopenta-1,3-diene; titanium CAS Name: butanoic acid; 2-methylcyclopenta-1,3-diene; titanium IUPAC Name: butanoic acid; 2-methylcyclopenta-1,3-diene; titanium Traditional Name: butyric acid; 2-methylcyclopenta-1,3-diene; titanium Formula: C18H31O6Ti- MolecularWeight: 391.30214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7.3C4H8O2.Ti/c1-6-4-2-3-5-6;3*1-2-3-4(5)6;/h2,4H,3H2,1H3;3*2-3H2,1H3,(H,5,6);/q-1;;;;