1-phenylperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1-phenylperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1-phenylperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1-phenylperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1-phenylperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1-phenylperylene-3,4,9,10-tetracarboxylic acid Formula: C30H16O8 MolecularWeight: 504.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C4=CC=C(C5=C(C=CC(=C45)C6=C3C(=C(C=C6)C(=O)O)C(=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C4=CC=C(C5=C(C=CC(=C45)C6=C3C(=C(C=C6)C(=O)O)C(=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C30H16O8/c31-27(32)17-9-6-14-15-7-10-19(29(35)36)25-21(30(37)38)12-20(13-4-2-1-3-5-13)23(26(15)25)16-8-11-18(28(33)34)24(17)22(14)16/h1-12H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)