1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane

Systemtic Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane Openeye Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane CAS Name: 1-[[3a-(4-tert-butylphenyl)-1-azulenyl]oxy]adamantane IUPAC Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane Traditional Name: 1-[3a-(4-tert-butylphenyl)azulen-1-yl]oxyadamantane Formula: C30H34O MolecularWeight: 410.59036

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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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C23C=CC=CC=C2C(=C[C]3)OC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H34O/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/h4-13,21-23H,15-20H2,1-3H3