trisodium 3-[2-[2,5-bis(oxidanylidene)oxolan-3-yl]ethoxy]-6-oxidanidylperoxysulfanyl-pyrene-1,8-disulfonate

Systemtic Name: trisodium 3-[2-[2,5-bis(oxidanylidene)oxolan-3-yl]ethoxy]-6-oxidanidylperoxysulfanyl-pyrene-1,8-disulfonate Openeye Name: trisodium 3-[2-(2,5-dioxotetrahydrofuran-3-yl)ethoxy]-6-oxidoperoxysulfanyl-pyrene-1,8-disulfonate CAS Name: trisodium 3-[2-(2,5-dioxo-3-oxolanyl)ethoxy]-6-(oxidodioxythio)pyrene-1,8-disulfonate IUPAC Name: trisodium 3-[2-(2,5-dioxooxolan-3-yl)ethoxy]-6-oxidoperoxysulfanylpyrene-1,8-disulfonate Traditional Name: trisodium 3-[2-(2,5-diketotetrahydrofuran-3-yl)ethoxy]-6-(oxidoperoxythio)pyrene-1,8-disulfonate Formula: C22H13Na3O13S3 MolecularWeight: 650.49513

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC1=O)CCOC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1C(C(=O)OC1=O)CCOC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H16O13S3.3Na/c23-19-7-10(22(24)33-19)5-6-32-15-8-17(37(26,27)28)13-3-4-14-18(38(29,30)31)9-16(36-35-34-25)12-2-1-11(15)20(13)21(12)14;;;/h1-4,8-10,25H,5-7H2,(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3