1,3,6-Pyrenetrisulfonic acid, trisodium salt

85154-17-2

CAS Name

1,3,6-Pyrenetrisulfonic acid, sodium salt (1:3)

Molecular Formula

C₁₆H₁₀O₉S₃.3Na

Other Names and Identifiers

InChI

InChI=1S/C16H10O9S3.3Na/c17-26(18,19)12-6-2-8-1-3-10-13(27(20,21)22)7-14(28(23,24)25)11-5-4-9(12)15(8)16(10)11;;;/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25);;;

InChIKey

InChIKey=XZZYJKIXEAKRDQ-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=C2C3=C4C(=C(S(=O)(=O)O)C=CC4=CC=C3C(S(=O)(=O)O)=C1)C=C2.[Na]

Canonical SMILES

[Na].O=S(=O)(O)C=1C=CC2=CC=C3C(=CC(=C4C=CC1C2=C34)S(=O)(=O)O)S(=O)(=O)O

Other Names for this Substance