1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1,2-dibutylperylene-3,4,9,10-tetracarboxylic acid Formula: C32H28O8 MolecularWeight: 540.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1CCCC)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1CCCC)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C32H28O8/c1-3-5-7-15-16(8-6-4-2)28(32(39)40)27-22(31(37)38)13-10-18-17-9-12-20(29(33)34)25-21(30(35)36)14-11-19(23(17)25)24(15)26(18)27/h9-14H,3-8H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)