potassium pyrene-1,6-disulfonate

Systemtic Name: potassium pyrene-1,6-disulfonate Openeye Name: potassium pyrene-1,6-disulfonate CAS Name: potassium pyrene-1,6-disulfonate IUPAC Name: potassium pyrene-1,6-disulfonate Traditional Name: potassium pyrene-1,6-disulfonate Formula: C16H8KO6S2- MolecularWeight: 399.45942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C16H10O6S2.K/c17-23(18,19)13-8-4-10-2-6-12-14(24(20,21)22)7-3-9-1-5-11(13)16(10)15(9)12;/h1-8H,(H,17,18,19)(H,20,21,22);/q;+1/p-2