2,7-ditert-butylpyrene-4,9-dicarboxylic acid

Systemtic Name: 2,7-ditert-butylpyrene-4,9-dicarboxylic acid Openeye Name: 2,7-ditert-butylpyrene-4,9-dicarboxylic acid CAS Name: 2,7-ditert-butylpyrene-4,9-dicarboxylic acid IUPAC Name: 2,7-ditert-butylpyrene-4,9-dicarboxylic acid Traditional Name: 2,7-ditert-butylpyrene-4,9-dicarboxylic acid Formula: C26H26O4 MolecularWeight: 402.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C3C=C(C=C4C3=C2C(=C1)C=C4C(=O)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C3C=C(C=C4C3=C2C(=C1)C=C4C(=O)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H26O4/c1-25(2,3)15-7-13-9-20(24(29)30)18-12-16(26(4,5)6)8-14-10-19(23(27)28)17(11-15)21(13)22(14)18/h7-12H,1-6H3,(H,27,28)(H,29,30)