1-(2,3,4-tricarboxyperylen-1-yl)carbonyloxycarbonylperylene-2,3,4-tricarboxylic acid

Systemtic Name: 1-(2,3,4-tricarboxyperylen-1-yl)carbonyloxycarbonylperylene-2,3,4-tricarboxylic acid Openeye Name: 1-(2,3,4-tricarboxyperylene-1-carbonyl)oxycarbonylperylene-2,3,4-tricarboxylic acid CAS Name: 1-[oxo-[oxo-(2,3,4-tricarboxy-1-perylenyl)methoxy]methyl]perylene-2,3,4-tricarboxylic acid IUPAC Name: 1-(2,3,4-tricarboxyperylene-1-carbonyl)oxycarbonylperylene-2,3,4-tricarboxylic acid Traditional Name: 1-(2,3,4-tricarboxyperylene-1-carbonyl)oxycarbonylperylene-2,3,4-tricarboxylic acid Formula: C48H22O15 MolecularWeight: 838.67928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C(=O)O)C(=C(C(=C5C3=CC=C2)C(=O)OC(=O)C6=C7C8=CC=CC9=C8C(=CC=C9)C1=C7C(=C(C=C1)C(=O)O)C(=C6C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C(=O)O)C(=C(C(=C5C3=CC=C2)C(=O)OC(=O)C6=C7C8=CC=CC9=C8C(=CC=C9)C1=C7C(=C(C=C1)C(=O)O)C(=C6C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C48H22O15/c49-41(50)25-15-13-21-19-9-1-5-17-7-3-11-23(27(17)19)31-29(21)33(25)35(43(53)54)37(45(57)58)39(31)47(61)63-48(62)40-32-24-12-4-8-18-6-2-10-20(28(18)24)22-14-16-26(42(51)52)34(30(22)32)36(44(55)56)38(40)46(59)60/h1-16H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)