3-(dioxidanylsulfonyl)pyrene-1,8-disulfonic acid

Systemtic Name: 3-(dioxidanylsulfonyl)pyrene-1,8-disulfonic acid Openeye Name: 3-hydroperoxysulfonylpyrene-1,8-disulfonic acid CAS Name: 3-hydroperoxysulfonylpyrene-1,8-disulfonic acid IUPAC Name: 3-hydroperoxysulfonylpyrene-1,8-disulfonic acid Traditional Name: 3-hydroperoxysulfonylpyrene-1,8-disulfonic acid Formula: C16H10O10S3 MolecularWeight: 458.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3=C2C4=C1C=CC(=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)OO

Isomeric SMILES

C1=CC2=C(C=C(C3=C2C4=C1C=CC(=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)OO

InChI

InChI=1S/C16H10O10S3/c17-26-29(24,25)14-7-13(28(21,22)23)10-5-4-9-12(27(18,19)20)6-2-8-1-3-11(14)16(10)15(8)9/h1-7,17H,(H,18,19,20)(H,21,22,23)