2,4-bis(1-adamantyl)-3-oxidanyl-benzaldehyde

Systemtic Name: 2,4-bis(1-adamantyl)-3-oxidanyl-benzaldehyde Openeye Name: 2,4-bis(1-adamantyl)-3-hydroxy-benzaldehyde CAS Name: 2,4-bis(1-adamantyl)-3-hydroxybenzaldehyde IUPAC Name: 2,4-bis(1-adamantyl)-3-hydroxybenzaldehyde Traditional Name: 2,4-bis(1-adamantyl)-3-hydroxy-benzaldehyde Formula: C27H34O2 MolecularWeight: 390.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C=O)C56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C(=C(C=C4)C=O)C56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C27H34O2/c28-15-22-1-2-23(26-9-16-3-17(10-26)5-18(4-16)11-26)25(29)24(22)27-12-19-6-20(13-27)8-21(7-19)14-27/h1-2,15-21,29H,3-14H2