2,3-ditert-butyl-5-(3,4-ditert-butylphenyl)carbonyl-terephthalic acid

Systemtic Name: 2,3-ditert-butyl-5-(3,4-ditert-butylphenyl)carbonyl-terephthalic acid Openeye Name: 2,3-ditert-butyl-5-(3,4-ditert-butylbenzoyl)terephthalic acid CAS Name: 2,3-ditert-butyl-5-[(3,4-ditert-butylphenyl)-oxomethyl]terephthalic acid IUPAC Name: 2,3-ditert-butyl-5-(3,4-ditert-butylbenzoyl)terephthalic acid Traditional Name: 2,3-ditert-butyl-5-(3,4-ditert-butylbenzoyl)terephthalic acid Formula: C31H42O5 MolecularWeight: 494.66218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2C(=O)O)C(C)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2C(=O)O)C(C)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C

InChI

InChI=1S/C31H42O5/c1-28(2,3)20-14-13-17(15-21(20)29(4,5)6)25(32)18-16-19(26(33)34)23(30(7,8)9)24(31(10,11)12)22(18)27(35)36/h13-16H,1-12H3,(H,33,34)(H,35,36)