2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid

Systemtic Name: 2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid Openeye Name: 2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanyl-phenyl)-5-methyl-phenyl]dodecanedioic acid CAS Name: 2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-4-mercapto-2-methylphenyl)-5-methylphenyl]dodecanedioic acid IUPAC Name: 2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-sulfanylphenyl)-5-methylphenyl]dodecanedioic acid Traditional Name: 2,2,3,3-tetrakis[2-tert-butyl-4-(5-tert-butyl-4-mercapto-2-methyl-phenyl)-5-methyl-phenyl]dodecanedioic acid Formula: C100H134O4S4 MolecularWeight: 1528.39156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)C(CCCCCCCCC(=O)O)(C3=C(C=C(C(=C3)C)C4=CC(=C(C=C4C)S)C(C)(C)C)C(C)(C)C)C(C5=C(C=C(C(=C5)C)C6=CC(=C(C=C6C)S)C(C)(C)C)C(C)(C)C)(C7=C(C=C(C(=C7)C)C8=CC(=C(C=C8C)S)C(C)(C)C)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=C(C=C2C)S)C(C)(C)C)C(C)(C)C)C(CCCCCCCCC(=O)O)(C3=C(C=C(C(=C3)C)C4=CC(=C(C=C4C)S)C(C)(C)C)C(C)(C)C)C(C5=C(C=C(C(=C5)C)C6=CC(=C(C=C6C)S)C(C)(C)C)C(C)(C)C)(C7=C(C=C(C(=C7)C)C8=CC(=C(C=C8C)S)C(C)(C)C)C(C)(C)C)C(=O)O

InChI

InChI=1S/C100H134O4S4/c1-57-41-77(73(91(9,10)11)49-65(57)69-53-81(95(21,22)23)85(105)45-61(69)5)99(40-38-36-34-33-35-37-39-89(101)102,78-42-58(2)66(50-74(78)92(12,13)14)70-54-82(96(24,25)26)86(106)46-62(70)6)100(90(103)104,79-43-59(3)67(51-75(79)93(15,16)17)71-55-83(97(27,28)29)87(107)47-63(71)7)80-44-60(4)68(52-76(80)94(18,19)20)72-56-84(98(30,31)32)88(108)48-64(72)8/h41-56,105-108H,33-40H2,1-32H3,(H,101,102)(H,103,104)