8-oxidanyl-3,6-bis(trioxidanylsulfanyl)pyrene-1-sulfonic acid

Systemtic Name: 8-oxidanyl-3,6-bis(trioxidanylsulfanyl)pyrene-1-sulfonic acid Openeye Name: 8-hydroxy-3,6-bis(trioxidanylsulfanyl)pyrene-1-sulfonic acid CAS Name: 8-hydroxy-3,6-bis(trioxidanylthio)-1-pyrenesulfonic acid IUPAC Name: 8-hydroxy-3,6-bis(trioxidanylsulfanyl)pyrene-1-sulfonic acid Traditional Name: 8-hydroxy-3,6-bis(trioxidanylthio)pyrene-1-sulfonic 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)SOOO)O)SOOO)S(=O)(=O)O

Isomeric SMILES

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

InChI

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