8-oxidanylpyrene-1,3,6-trisulfonic acid

Systemtic Name: 8-oxidanylpyrene-1,3,6-trisulfonic acid Openeye Name: 8-hydroxypyrene-1,3,6-trisulfonic acid CAS Name: 8-hydroxypyrene-1,3,6-trisulfonic acid IUPAC Name: 8-hydroxypyrene-1,3,6-trisulfonic acid Traditional Name: 8-hydroxypyrene-1,3,6-trisulfonic acid Formula: C16H10O10S3 MolecularWeight: 458.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)O)S(=O)(=O)O

InChI

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