4-[(2,5-ditert-butylphenyl)carbamoyl]perylene-3-carboxylic acid

Systemtic Name: 4-[(2,5-ditert-butylphenyl)carbamoyl]perylene-3-carboxylic acid Openeye Name: 4-[(2,5-ditert-butylphenyl)carbamoyl]perylene-3-carboxylic acid CAS Name: 4-[(2,5-ditert-butylanilino)-oxomethyl]-3-perylenecarboxylic acid IUPAC Name: 4-[(2,5-ditert-butylphenyl)carbamoyl]perylene-3-carboxylic acid Traditional Name: 4-[(2,5-ditert-butylphenyl)carbamoyl]perylene-3-carboxylic acid Formula: C36H33NO3 MolecularWeight: 527.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)NC(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)O

InChI

InChI=1S/C36H33NO3/c1-35(2,3)21-13-18-28(36(4,5)6)29(19-21)37-33(38)26-16-14-24-22-11-7-9-20-10-8-12-23(30(20)22)25-15-17-27(34(39)40)32(26)31(24)25/h7-19H,1-6H3,(H,37,38)(H,39,40)