8-oxidanylpyrene-1,3,5-trisulfonic acid

Systemtic Name: 8-oxidanylpyrene-1,3,5-trisulfonic acid Openeye Name: 8-hydroxypyrene-1,3,5-trisulfonic acid CAS Name: 8-hydroxypyrene-1,3,5-trisulfonic acid IUPAC Name: 8-hydroxypyrene-1,3,5-trisulfonic acid Traditional Name: 8-hydroxypyrene-1,3,5-trisulfonic acid Formula: C16H10O10S3 MolecularWeight: 458.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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