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2-ethylhexanoate; indium(3+); propan-2-olate

2-ethylhexanoate; indium(3+); propan-2-olate

Systemtic Name:2-ethylhexanoate; indium(3+); propan-2-olate
Openeye Name:2-ethylhexanoate; indium(3+); propan-2-olate
CAS Name:2-ethylhexanoate; indium(3+); 2-propanolate
IUPAC Name:2-ethylhexanoate; indium(3+); propan-2-olate
Traditional Name:2-ethylhexanoate; indium(3+); propan-2-olate
Formula: C33H66In2O9
MolecularWeight: 836.50774
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[In+3].[In+3]


Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[In+3].[In+3]


InChI

InChI=1S/3C8H16O2.3C3H7O.2In/c3*1-3-5-6-7(4-2)8(9)10;3*1-3(2)4;;/h3*7H,3-6H2,1-2H3,(H,9,10);3*3H,1-2H3;;/q;;;3*-1;2*+3/p-3


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