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3-methylphenol; naphthalen-1-ol; titanium

3-methylphenol; naphthalen-1-ol; titanium

Systemtic Name:3-methylphenol; naphthalen-1-ol; titanium
Openeye Name:m-cresol; naphthalen-1-ol; titanium
CAS Name:3-methylphenol; 1-naphthalenol; titanium
IUPAC Name:3-methylphenol; naphthalen-1-ol; titanium
Traditional Name:m-cresol; 1-naphthol; titanium
Formula: C68H64O8Ti2
MolecularWeight: 1104.96496
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.[Ti].[Ti]


Isomeric SMILES

CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.CC1=CC(=CC=C1)O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.C1=CC=C2C(=C1)C=CC=C2O.[Ti].[Ti]


InChI

InChI=1S/4C10H8O.4C7H8O.2Ti/c4*11-10-7-3-5-8-4-1-2-6-9(8)10;4*1-6-3-2-4-7(8)5-6;;/h4*1-7,11H;4*2-5,8H,1H3;;


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