methyl 5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: methyl 5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-diene-1-carboxylate Openeye Name: methyl 5,6-bis(3,6,8-tritert-butyl-2-naphthyl)cyclohexa-1,5-diene-1-carboxylate CAS Name: 5,6-bis(3,6,8-tritert-butyl-2-naphthalenyl)-1-cyclohexa-1,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 5,6-bis(3,6,8-tritert-butylnaphthalen-2-yl)cyclohexa-1,5-diene-1-carboxylate Traditional Name: 5,6-bis(3,6,8-tritert-butyl-2-naphthyl)cyclohexa-1,5-diene-1-carboxylic acid methyl ester Formula: C52H70O2 MolecularWeight: 727.111

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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)OC)C4=C(C=C5C=C(C=C(C5=C4)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)OC)C4=C(C=C5C=C(C=C(C5=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C52H70O2/c1-47(2,3)33-23-31-25-41(49(7,8)9)39(29-37(31)43(27-33)51(13,14)15)35-21-20-22-36(46(53)54-19)45(35)40-30-38-32(26-42(40)50(10,11)12)24-34(48(4,5)6)28-44(38)52(16,17)18/h22-30H,20-21H2,1-19H3