3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 3,5-dibutyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-cyclohexa-2,5-diene-1-carboxylate Formula: C35H47O3- MolecularWeight: 515.74588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(=C(C1(C2=CC=CC=C2C(C)(C)C)O)CCCC)C3=CC=CC=C3C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(C(=C(C1(C2=CC=CC=C2C(C)(C)C)O)CCCC)C3=CC=CC=C3C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C35H48O3/c1-9-11-17-24-23-26(32(36)37)31(25-18-13-14-20-27(25)33(3,4)5)30(19-12-10-2)35(24,38)29-22-16-15-21-28(29)34(6,7)8/h13-16,18,20-23,26,38H,9-12,17,19H2,1-8H3,(H,36,37)/p-1