1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1,6,7,12-tetramethylperylene-3,4,9,10-tetracarboxylic acid Formula: C28H20O8 MolecularWeight: 484.4536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=C(C=C(C4=C3C(=C(C=C4C(=O)O)C)C5=C(C=C(C(=C25)C(=C1)C(=O)O)C(=O)O)C)C(=O)O)C

Isomeric SMILES

CC1=C2C3=C(C=C(C4=C3C(=C(C=C4C(=O)O)C)C5=C(C=C(C(=C25)C(=C1)C(=O)O)C(=O)O)C)C(=O)O)C

InChI

InChI=1S/C28H20O8/c1-9-5-13(25(29)30)21-14(26(31)32)7-11(3)19-20-12(4)8-16(28(35)36)22-15(27(33)34)6-10(2)18(24(20)22)17(9)23(19)21/h5-8H,1-4H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)