propane; scandium; 2,4,6-trimethylphenol

Systemtic Name: propane; scandium; 2,4,6-trimethylphenol Openeye Name: propane; scandium; 2,4,6-trimethylphenol CAS Name: propane; scandium; 2,4,6-trimethylphenol IUPAC Name: propane; scandium; 2,4,6-trimethylphenol Traditional Name: propane; scandium; 2,4,6-trimethylphenol Formula: C21H31O2Sc- MolecularWeight: 360.42555

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Descriptors Computed from Structure

Canonical SMILES:

CC[CH2-].CC1=CC(=C(C(=C1)C)O)C.CC1=CC(=C(C(=C1)C)O)C.[Sc]

Isomeric SMILES

CC[CH2-].CC1=CC(=C(C(=C1)C)O)C.CC1=CC(=C(C(=C1)C)O)C.[Sc]

InChI

InChI=1S/2C9H12O.C3H7.Sc/c2*1-6-4-7(2)9(10)8(3)5-6;1-3-2;/h2*4-5,10H,1-3H3;1,3H2,2H3;/q;;-1;