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

Systemtic Name: [4-[2-oxidanylidene-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Openeye Name: [4-[2-oxo-3-(4-sulfooxyphenyl)indolin-3-yl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] ester IUPAC Name: [4-[2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[2-keto-3-(4-sulfoxyphenyl)indolin-3-yl]phenyl] ester Formula: C20H15NO9S2 MolecularWeight: 477.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O

InChI

InChI=1S/C20H15NO9S2/c22-19-20(17-3-1-2-4-18(17)21-19,13-5-9-15(10-6-13)29-31(23,24)25)14-7-11-16(12-8-14)30-32(26,27)28/h1-12H,(H,21,22)(H,23,24,25)(H,26,27,28)