potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-dione isothiocyanate

Systemtic Name: potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-dione isothiocyanate Openeye Name: potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-dione isothiocyanate CAS Name: potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-dione isothiocyanate IUPAC Name: potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-dione isothiocyanate Traditional Name: potassium 2,5,8,11,14,17,20-heptaoxabicyclo[19.4.0]pentacosa-1(25),21,23-triene-4,18-quinone isothiocyanate Formula: C19H24KNO9S MolecularWeight: 481.55846

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOC(=O)COC2=CC=CC=C2OCC(=O)OCCOCCO1.C(=[N-])=S.[K+]

Isomeric SMILES

C1COCCOC(=O)COC2=CC=CC=C2OCC(=O)OCCOCCO1.C(=[N-])=S.[K+]

InChI

InChI=1S/C18H24O9.CNS.K/c19-17-13-26-15-3-1-2-4-16(15)27-14-18(20)25-12-10-23-8-6-21-5-7-22-9-11-24-17;2-1-3;/h1-4H,5-14H2;;/q;-1;+1