(4-butylphenyl) 9-(4-butylphenyl)carbonylperylene-2-carboxylate

Systemtic Name: (4-butylphenyl) 9-(4-butylphenyl)carbonylperylene-2-carboxylate Openeye Name: (4-butylphenyl) 9-(4-butylbenzoyl)perylene-2-carboxylate CAS Name: 9-[(4-butylphenyl)-oxomethyl]-2-perylenecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 9-(4-butylbenzoyl)perylene-2-carboxylate Traditional Name: 9-(4-butylbenzoyl)perylene-2-carboxylic acid (4-butylphenyl) ester Formula: C42H36O3 MolecularWeight: 588.73344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C3C4=CC=CC5=CC(=CC(=C54)C6=C3C2=CC=C6)C(=O)OC7=CC=C(C=C7)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=CC=C3C4=CC=CC5=CC(=CC(=C54)C6=C3C2=CC=C6)C(=O)OC7=CC=C(C=C7)CCCC

InChI

InChI=1S/C42H36O3/c1-3-5-9-27-15-19-29(20-16-27)41(43)37-24-23-36-33-12-7-11-30-25-31(26-38(39(30)33)35-14-8-13-34(37)40(35)36)42(44)45-32-21-17-28(18-22-32)10-6-4-2/h7-8,11-26H,3-6,9-10H2,1-2H3