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2-methyl-5-oxidanyl-naphthalene-1,4-dione; propan-2-ol; titanium

2-methyl-5-oxidanyl-naphthalene-1,4-dione; propan-2-ol; titanium

Systemtic Name:2-methyl-5-oxidanyl-naphthalene-1,4-dione; propan-2-ol; titanium
Openeye Name:5-hydroxy-2-methyl-naphthalene-1,4-dione; propan-2-ol; titanium
CAS Name:5-hydroxy-2-methylnaphthalene-1,4-dione; 2-propanol; titanium
IUPAC Name:5-hydroxy-2-methylnaphthalene-1,4-dione; propan-2-ol; titanium
Traditional Name:plumbagin; propan-2-ol; titanium
Formula: C28H32O8Ti
MolecularWeight: 544.41588
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(C1=O)C=CC=C2O.CC1=CC(=O)C2=C(C1=O)C=CC=C2O.CC(C)O.CC(C)O.[Ti]


Isomeric SMILES

CC1=CC(=O)C2=C(C1=O)C=CC=C2O.CC1=CC(=O)C2=C(C1=O)C=CC=C2O.CC(C)O.CC(C)O.[Ti]


InChI

InChI=1S/2C11H8O3.2C3H8O.Ti/c2*1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12;2*1-3(2)4;/h2*2-5,12H,1H3;2*3-4H,1-2H3;


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