4-oxidanyl-6-(trioxidanylsulfanyl)pyrene-1,9-disulfonic acid

Systemtic Name: 4-oxidanyl-6-(trioxidanylsulfanyl)pyrene-1,9-disulfonic acid Openeye Name: 4-hydroxy-6-(trioxidanylsulfanyl)pyrene-1,9-disulfonic acid CAS Name: 4-hydroxy-6-(trioxidanylthio)pyrene-1,9-disulfonic acid IUPAC Name: 4-hydroxy-6-(trioxidanylsulfanyl)pyrene-1,9-disulfonic acid Traditional Name: 4-hydroxy-6-(trioxidanylthio)pyrene-1,9-disulfonic acid Formula: C16H10O10S3 MolecularWeight: 458.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O)SOOO

Isomeric SMILES

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O)SOOO

InChI

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