1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1,7-diphenoxyperylene-3,4,9,10-tetracarboxylic acid Formula: C36H20O10 MolecularWeight: 612.538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C3C4=C5C(=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC6=CC=CC=C6)C7=C3C(=C(C=C7)C(=O)O)C(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C3C4=C5C(=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC6=CC=CC=C6)C7=C3C(=C(C=C7)C(=O)O)C(=C2)C(=O)O

InChI

InChI=1S/C36H20O10/c37-33(38)21-14-12-20-30-26(46-18-9-5-2-6-10-18)16-24(36(43)44)28-22(34(39)40)13-11-19(32(28)30)29-25(45-17-7-3-1-4-8-17)15-23(35(41)42)27(21)31(20)29/h1-16H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)