9-(4-octylphenoxy)carbonylperylene-3-carboxylic acid

Systemtic Name: 9-(4-octylphenoxy)carbonylperylene-3-carboxylic acid Openeye Name: 9-(4-octylphenoxy)carbonylperylene-3-carboxylic acid CAS Name: 9-[(4-octylphenoxy)-oxomethyl]-3-perylenecarboxylic acid IUPAC Name: 9-(4-octylphenoxy)carbonylperylene-3-carboxylic acid Traditional Name: 9-(4-octylphenoxy)carbonylperylene-3-carboxylic acid Formula: C36H32O4 MolecularWeight: 528.63688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)C(=O)O

InChI

InChI=1S/C36H32O4/c1-2-3-4-5-6-7-10-23-15-17-24(18-16-23)40-36(39)32-22-20-30-25-11-8-13-27-31(35(37)38)21-19-29(33(25)27)26-12-9-14-28(32)34(26)30/h8-9,11-22H,2-7,10H2,1H3,(H,37,38)