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5-oxidanylnaphthalene-1,4-dione; propan-2-ol; titanium

5-oxidanylnaphthalene-1,4-dione; propan-2-ol; titanium

Systemtic Name:5-oxidanylnaphthalene-1,4-dione; propan-2-ol; titanium
Openeye Name:5-hydroxynaphthalene-1,4-dione; propan-2-ol; titanium
CAS Name:5-hydroxynaphthalene-1,4-dione; 2-propanol; titanium
IUPAC Name:5-hydroxynaphthalene-1,4-dione; propan-2-ol; titanium
Traditional Name:juglone; propan-2-ol; titanium
Formula: C26H28O8Ti
MolecularWeight: 516.36272
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.C1=CC2=C(C(=O)C=CC2=O)C(=C1)O.C1=CC2=C(C(=O)C=CC2=O)C(=C1)O.[Ti]


Isomeric SMILES

CC(C)O.CC(C)O.C1=CC2=C(C(=O)C=CC2=O)C(=C1)O.C1=CC2=C(C(=O)C=CC2=O)C(=C1)O.[Ti]


InChI

InChI=1S/2C10H6O3.2C3H8O.Ti/c2*11-7-4-5-9(13)10-6(7)2-1-3-8(10)12;2*1-3(2)4;/h2*1-5,12H;2*3-4H,1-2H3;


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