4-tert-butylbenzoate; chromium(3+)

Systemtic Name: 4-tert-butylbenzoate; chromium(3+) Openeye Name: chromic 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoate; chromium(3+) IUPAC Name: 4-tert-butylbenzoate; chromium(3+) Traditional Name: chromic 4-tert-butylbenzoate Formula: C33H39CrO6 MolecularWeight: 583.65526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Cr+3]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Cr+3]

InChI

InChI=1S/3C11H14O2.Cr/c3*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h3*4-7H,1-3H3,(H,12,13);/q;;;+3/p-3