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cyclohexa-1,3-diene; 2,6-di(propan-2-yl)phenol; niobium

cyclohexa-1,3-diene; 2,6-di(propan-2-yl)phenol; niobium

Systemtic Name:cyclohexa-1,3-diene; 2,6-di(propan-2-yl)phenol; niobium
Openeye Name:cyclohexa-1,3-diene; 2,6-diisopropylphenol; niobium
CAS Name:cyclohexa-1,3-diene; 2,6-di(propan-2-yl)phenol; niobium
IUPAC Name:cyclohexa-1,3-diene; 2,6-di(propan-2-yl)phenol; niobium
Traditional Name:cyclohexa-1,3-diene; 2,6-diisopropylphenol; niobium
Formula: C42H62NbO3
MolecularWeight: 707.84626
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.C1CC=CC=C1.[Nb]


Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.CC(C)C1=C(C(=CC=C1)C(C)C)O.C1CC=CC=C1.[Nb]


InChI

InChI=1S/3C12H18O.C6H8.Nb/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-2-4-6-5-3-1;/h3*5-9,13H,1-4H3;1-4H,5-6H2;


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