[5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-phenyl-methanone

Systemtic Name: [5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-phenyl-methanone Openeye Name: [5,6-bis(3,6,8-tritert-butyl-2-naphthyl)cyclohexa-1,5-dien-1-yl]-phenyl-methanone CAS Name: [5,6-bis(3,6,8-tritert-butyl-2-naphthalenyl)-1-cyclohexa-1,5-dienyl]-phenylmethanone IUPAC Name: [5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-phenylmethanone Traditional Name: [5,6-bis(3,6,8-tritert-butyl-2-naphthyl)cyclohexa-1,5-dien-1-yl]-phenyl-methanone Formula: C57H72O MolecularWeight: 773.18098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C(C=C2C(=C1)C(C)(C)C)C3=C(C(=CCC3)C(=O)C4=CC=CC=C4)C5=C(C=C6C=C(C=C(C6=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C(C=C2C(=C1)C(C)(C)C)C3=C(C(=CCC3)C(=O)C4=CC=CC=C4)C5=C(C=C6C=C(C=C(C6=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C57H72O/c1-52(2,3)38-27-36-29-46(54(7,8)9)44(33-42(36)48(31-38)56(13,14)15)40-25-22-26-41(51(58)35-23-20-19-21-24-35)50(40)45-34-43-37(30-47(45)55(10,11)12)28-39(53(4,5)6)32-49(43)57(16,17)18/h19-21,23-24,26-34H,22,25H2,1-18H3