1-[2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxyperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1-[2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]oxyperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1-(2,3-dihydroxy-4-oxo-butanoyl)oxyperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1-(2,3-dihydroxy-1,4-dioxobutoxy)perylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1-(2,3-dihydroxy-4-oxobutanoyl)oxyperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1-(2,3-dihydroxy-4-keto-butanoyl)oxyperylene-3,4,9,10-tetracarboxylic acid Formula: C28H16O13 MolecularWeight: 560.41884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC(=O)C(C(C=O)O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=C(C=C(C5=C(C=C4)C(=O)O)C(=O)O)OC(=O)C(C(C=O)O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C28H16O13/c29-8-16(30)23(31)28(40)41-17-7-15(27(38)39)20-14(26(36)37)5-2-10-9-1-4-12(24(32)33)19-13(25(34)35)6-3-11(18(9)19)21(17)22(10)20/h1-8,16,23,30-31H,(H,32,33)(H,34,35)(H,36,37)(H,38,39)