trisodium 3-butoxy-6-oxidanidylperoxysulfanyl-pyrene-1,8-disulfonate

Systemtic Name: trisodium 3-butoxy-6-oxidanidylperoxysulfanyl-pyrene-1,8-disulfonate Openeye Name: trisodium 3-butoxy-6-oxidoperoxysulfanyl-pyrene-1,8-disulfonate CAS Name: trisodium 3-butoxy-6-(oxidodioxythio)pyrene-1,8-disulfonate IUPAC Name: trisodium 3-butoxy-6-oxidoperoxysulfanylpyrene-1,8-disulfonate Traditional Name: trisodium 3-butoxy-6-(oxidoperoxythio)pyrene-1,8-disulfonate Formula: C20H15Na3O10S3 MolecularWeight: 580.49141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCOC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SOO[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H18O10S3.3Na/c1-2-3-8-28-15-9-17(32(22,23)24)13-6-7-14-18(33(25,26)27)10-16(31-30-29-21)12-5-4-11(15)19(13)20(12)14;;;/h4-7,9-10,21H,2-3,8H2,1H3,(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3