3-(4-oxidanylidenehexoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid

Systemtic Name: 3-(4-oxidanylidenehexoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid Openeye Name: 3-(4-oxohexoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid CAS Name: 3-(4-oxohexoxy)-6-(trioxidanylthio)pyrene-1,8-disulfonic acid IUPAC Name: 3-(4-oxohexoxy)-6-(trioxidanylsulfanyl)pyrene-1,8-disulfonic acid Traditional Name: 3-(4-ketohexoxy)-6-(trioxidanylthio)pyrene-1,8-disulfonic acid Formula: C22H20O11S3 MolecularWeight: 556.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(=O)CCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOOO)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H20O11S3/c1-2-12(23)4-3-9-31-17-10-19(35(25,26)27)15-7-8-16-20(36(28,29)30)11-18(34-33-32-24)14-6-5-13(17)21(15)22(14)16/h5-8,10-11,24H,2-4,9H2,1H3,(H,25,26,27)(H,28,29,30)