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5-octylperylene-1,2,3,4-tetracarboxylic acid

5-octylperylene-1,2,3,4-tetracarboxylic acid

Systemtic Name:5-octylperylene-1,2,3,4-tetracarboxylic acid
Openeye Name:5-octylperylene-1,2,3,4-tetracarboxylic acid
CAS Name:5-octylperylene-1,2,3,4-tetracarboxylic acid
IUPAC Name:5-octylperylene-1,2,3,4-tetracarboxylic acid
Traditional Name:5-octylperylene-1,2,3,4-tetracarboxylic acid
Formula: C32H28O8
MolecularWeight: 540.55992
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C2=C(C(=C(C3=C2C(=C1)C4=CC=CC5=C4C3=CC=C5)C(=O)O)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCC1=C(C2=C(C(=C(C3=C2C(=C1)C4=CC=CC5=C4C3=CC=C5)C(=O)O)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C32H28O8/c1-2-3-4-5-6-7-10-17-15-20-18-13-8-11-16-12-9-14-19(21(16)18)23-24(20)25(22(17)29(33)34)27(31(37)38)28(32(39)40)26(23)30(35)36/h8-9,11-15H,2-7,10H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)


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