trisodium 3-ethanoylperoxysulfonylpyrene-1,2-disulfonate

Systemtic Name: trisodium 3-ethanoylperoxysulfonylpyrene-1,2-disulfonate Openeye Name: trisodium 3-acetylperoxysulfonylpyrene-1,2-disulfonate CAS Name: trisodium 3-acetyldioxysulfonylpyrene-1,2-disulfonate IUPAC Name: trisodium 3-acetylperoxysulfonylpyrene-1,2-disulfonate Traditional Name: trisodium 3-acetylperoxysulfonylpyrene-1,2-disulfonate Formula: C18H10Na3O11S3+ MolecularWeight: 567.42971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)OOS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H12O11S3.3Na/c1-9(19)28-29-32(26,27)17-13-8-6-11-4-2-3-10-5-7-12(15(13)14(10)11)16(30(20,21)22)18(17)31(23,24)25;;;/h2-8H,1H3,(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-2