4-[1-(4-oxidanidyl-4-oxidanylidene-butyl)perylen-2-yl]butanoate

Systemtic Name: 4-[1-(4-oxidanidyl-4-oxidanylidene-butyl)perylen-2-yl]butanoate Openeye Name: 4-[1-(4-oxido-4-oxo-butyl)perylen-2-yl]butanoate CAS Name: 4-[1-(4-oxido-4-oxobutyl)-2-perylenyl]butanoate IUPAC Name: 4-[1-(4-oxido-4-oxobutyl)perylen-2-yl]butanoate Traditional Name: 4-[1-(4-keto-4-oxido-butyl)perylen-2-yl]butyrate Formula: C28H22O4-2 MolecularWeight: 422.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=CC=CC5=CC(=C(C(=C54)C3=CC=C2)CCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=CC(=C(C(=C54)C3=CC=C2)CCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/C28H24O4/c29-24(30)14-4-8-18-16-19-9-3-12-22-21-11-1-6-17-7-2-13-23(26(17)21)28(27(19)22)20(18)10-5-15-25(31)32/h1-3,6-7,9,11-13,16H,4-5,8,10,14-15H2,(H,29,30)(H,31,32)/p-2