2,9-bis[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-4,7-bis(oxidanyl)decanedioic acid

Systemtic Name: 2,9-bis[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-4,7-bis(oxidanyl)decanedioic acid Openeye Name: 2,9-bis[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]-4,7-dihydroxy-decanedioic acid CAS Name: 2,9-bis[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-4,7-dihydroxydecanedioic acid IUPAC Name: 2,9-bis[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-4,7-dihydroxydecanedioic acid Traditional Name: 2,9-bis(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-4,7-dihydroxy-sebacic acid Formula: C34H50O8 MolecularWeight: 586.756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(CC(CCC(CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C)C(=O)O)O)O)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(CC(CCC(CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C)C(=O)O)O)O)C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C34H50O8/c1-19-11-21(15-27(29(19)37)33(3,4)5)13-23(31(39)40)17-25(35)9-10-26(36)18-24(32(41)42)14-22-12-20(2)30(38)28(16-22)34(6,7)8/h11-12,15-16,23-26,35-38H,9-10,13-14,17-18H2,1-8H3,(H,39,40)(H,41,42)