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7,8-bis(oxidanyl)pyrene-1,3,6-trisulfonic acid

7,8-bis(oxidanyl)pyrene-1,3,6-trisulfonic acid

Systemtic Name:7,8-bis(oxidanyl)pyrene-1,3,6-trisulfonic acid
Openeye Name:7,8-dihydroxypyrene-1,3,6-trisulfonic acid
CAS Name:7,8-dihydroxypyrene-1,3,6-trisulfonic acid
IUPAC Name:7,8-dihydroxypyrene-1,3,6-trisulfonic acid
Traditional Name:7,8-dihydroxypyrene-1,3,6-trisulfonic acid
Formula: C16H10O11S3
MolecularWeight: 474.439
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C(=C2O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C3C(=C(C(=C2O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C16H10O11S3/c17-14-8-3-1-6-10(28(19,20)21)5-11(29(22,23)24)7-2-4-9(13(8)12(6)7)16(15(14)18)30(25,26)27/h1-5,17-18H,(H,19,20,21)(H,22,23,24)(H,25,26,27)


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