6-(9-hexylperylen-3-yl)hex-5-ynyl 2-methylprop-2-enoate

Systemtic Name: 6-(9-hexylperylen-3-yl)hex-5-ynyl 2-methylprop-2-enoate Openeye Name: 6-(9-hexylperylen-3-yl)hex-5-ynyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 6-(9-hexyl-3-perylenyl)hex-5-ynyl ester IUPAC Name: 6-(9-hexylperylen-3-yl)hex-5-ynyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 6-(9-hexylperylen-3-yl)hex-5-ynyl ester Formula: C36H36O2 MolecularWeight: 500.66984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C2C3=CC=CC4=C(C=CC(=C43)C5=C2C1=CC=C5)C#CCCCCOC(=O)C(=C)C

Isomeric SMILES

CCCCCCC1=CC=C2C3=CC=CC4=C(C=CC(=C43)C5=C2C1=CC=C5)C#CCCCCOC(=O)C(=C)C

InChI

InChI=1S/C36H36O2/c1-4-5-6-9-14-26-20-22-32-31-19-13-17-29-27(15-10-7-8-11-24-38-36(37)25(2)3)21-23-33(35(29)31)30-18-12-16-28(26)34(30)32/h12-13,16-23H,2,4-9,11,14,24H2,1,3H3