1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane; carbon monoxide; tungsten

Systemtic Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane; carbon monoxide; tungsten Openeye Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane; carbon monoxide; tungsten CAS Name: 1-[[3a-(4-tert-butylphenyl)-1-azulenyl]oxy]adamantane; carbon monoxide; tungsten IUPAC Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane; carbon monoxide; tungsten Traditional Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane; carbon monoxide; tungsten Formula: C35H34O6W MolecularWeight: 734.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C23C=CC=CC=C2C(=C[C]3)OC45CC6CC(C4)CC(C6)C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C23C=CC=CC=C2C(=C[C]3)OC45CC6CC(C4)CC(C6)C5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

InChI

InChI=1S/C30H34O.5CO.W/c1-28(2,3)24-8-10-25(11-9-24)30-13-6-4-5-7-26(30)27(12-14-30)31-29-18-21-15-22(19-29)17-23(16-21)20-29;5*1-2;/h4-13,21-23H,15-20H2,1-3H3;;;;;;