disodium 2-(1-adamantyl)-4-(4-oxidanidylphenyl)sulfonyl-phenolate

Systemtic Name: disodium 2-(1-adamantyl)-4-(4-oxidanidylphenyl)sulfonyl-phenolate Openeye Name: disodium 2-(1-adamantyl)-4-(4-oxidophenyl)sulfonyl-phenolate CAS Name: disodium 2-(1-adamantyl)-4-(4-oxidophenyl)sulfonylphenolate IUPAC Name: disodium 2-(1-adamantyl)-4-(4-oxidophenyl)sulfonylphenolate Traditional Name: disodium 2-(1-adamantyl)-4-(4-oxidophenyl)sulfonyl-phenolate Formula: C22H22Na2O4S MolecularWeight: 428.45222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)S(=O)(=O)C5=CC=C(C=C5)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)S(=O)(=O)C5=CC=C(C=C5)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H24O4S.2Na/c23-17-1-3-18(4-2-17)27(25,26)19-5-6-21(24)20(10-19)22-11-14-7-15(12-22)9-16(8-14)13-22;;/h1-6,10,14-16,23-24H,7-9,11-13H2;;/q;2*+1/p-2