[4-[5-methoxy-2-oxidanylidene-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate

Systemtic Name: [4-[5-methoxy-2-oxidanylidene-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Openeye Name: [4-[5-methoxy-2-oxo-3-(4-sulfooxyphenyl)indolin-3-yl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[5-methoxy-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] ester IUPAC Name: [4-[5-methoxy-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[2-keto-5-methoxy-3-(4-sulfoxyphenyl)indolin-3-yl]phenyl] ester Formula: C21H17NO10S2 MolecularWeight: 507.49038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C2(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C2(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O

InChI

InChI=1S/C21H17NO10S2/c1-30-17-10-11-19-18(12-17)21(20(23)22-19,13-2-6-15(7-3-13)31-33(24,25)26)14-4-8-16(9-5-14)32-34(27,28)29/h2-12H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29)