3,5-ditert-butyl-4-oxidanyl-benzaldehyde hydrate

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzaldehyde hydrate Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzaldehyde hydrate CAS Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde hydrate IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde hydrate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzaldehyde hydrate Formula: C30H46O5 MolecularWeight: 486.68324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O.O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O.O

InChI

InChI=1S/2C15H22O2.H2O/c2*1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h2*7-9,17H,1-6H3;1H2