scandium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; hydrate

Systemtic Name: scandium; (Z)-2,2,6,6-tetramethyl-5-oxidanyl-hept-4-en-3-one; hydrate Openeye Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; scandium; hydrate CAS Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-4-hepten-3-one; scandium; hydrate IUPAC Name: (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one; scandium; hydrate Traditional Name: (Z)-5-hydroxy-2,2,6,6-tetramethyl-hept-4-en-3-one; scandium; hydrate Formula: C33H62O7Sc MolecularWeight: 615.79709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.O.[Sc]

Isomeric SMILES

CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.O.[Sc]

InChI

InChI=1S/3C11H20O2.H2O.Sc/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3*7,12H,1-6H3;1H2;/b3*8-7-;;