2-adamantyl quinoline-8-sulfonate

Systemtic Name: 2-adamantyl quinoline-8-sulfonate Openeye Name: 2-adamantyl quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid 2-adamantyl ester IUPAC Name: 2-adamantyl quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid 2-adamantyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C19H21NO3S/c21-24(22,17-5-1-3-14-4-2-6-20-18(14)17)23-19-15-8-12-7-13(10-15)11-16(19)9-12/h1-6,12-13,15-16,19H,7-11H2