disodium [4-[7-methyl-2-oxidanylidene-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate

Systemtic Name: disodium [4-[7-methyl-2-oxidanylidene-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Openeye Name: disodium [4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)indolin-3-yl]phenyl] hydrogen sulfate CAS Name: disodium sulfuric acid [4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] ester IUPAC Name: disodium [4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Traditional Name: disodium sulfuric acid [4-[2-keto-7-methyl-3-(4-sulfoxyphenyl)indolin-3-yl]phenyl] ester Formula: C21H17NNa2O9S2+2 MolecularWeight: 537.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C2(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C2(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C21H17NO9S2.2Na/c1-13-3-2-4-18-19(13)22-20(23)21(18,14-5-9-16(10-6-14)30-32(24,25)26)15-7-11-17(12-8-15)31-33(27,28)29;;/h2-12H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1