1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid CAS Name: 1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1,7-bis(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxylic acid Formula: C44H36O10 MolecularWeight: 724.75064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C5C(=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC6=CC=C(C=C6)C(C)(C)C)C7=C3C(=C(C=C7)C(=O)O)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C5C(=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC6=CC=C(C=C6)C(C)(C)C)C7=C3C(=C(C=C7)C(=O)O)C(=C2)C(=O)O

InChI

InChI=1S/C44H36O10/c1-43(2,3)21-7-11-23(12-8-21)53-31-19-29(41(49)50)33-27(39(45)46)18-16-26-36-32(54-24-13-9-22(10-14-24)44(4,5)6)20-30(42(51)52)34-28(40(47)48)17-15-25(38(34)36)35(31)37(26)33/h7-20H,1-6H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52)