disodium 4-[3-(4-oxidanidylphenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]phenolate

Systemtic Name: disodium 4-[3-(4-oxidanidylphenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]phenolate Openeye Name: disodium 4-[3-(4-oxidophenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenolate CAS Name: disodium 4-[3-(4-oxidophenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenolate IUPAC Name: disodium 4-[3-(4-oxidophenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenolate Traditional Name: disodium 4-[1,1-diketo-3-(4-oxidophenyl)-2,1$l^{6}-benzoxathiol-3-yl]phenolate Formula: C19H12Na2O5S MolecularWeight: 398.34012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)[O-])C4=CC=C(C=C4)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)[O-])C4=CC=C(C=C4)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H14O5S.2Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;;/h1-12,20-21H;;/q;2*+1/p-2