3-propan-2-yl-2-propan-2-yloxy-benzoate; vanadium

Systemtic Name: 3-propan-2-yl-2-propan-2-yloxy-benzoate; vanadium Openeye Name: 2-isopropoxy-3-isopropyl-benzoate; vanadium CAS Name: 3-propan-2-yl-2-propan-2-yloxybenzoate; vanadium IUPAC Name: 3-propan-2-yl-2-propan-2-yloxybenzoate; vanadium Traditional Name: 2-isopropoxy-3-isopropyl-benzoate; vanadium Formula: C65H85O15V-5 MolecularWeight: 1157.3029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].[V]

Isomeric SMILES

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].[V]

InChI

InChI=1S/5C13H18O3.V/c5*1-8(2)10-6-5-7-11(13(14)15)12(10)16-9(3)4;/h5*5-9H,1-4H3,(H,14,15);/p-5