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

Systemtic Name: [4-[3-(4-hydroxyphenyl)-5-methyl-2-oxidanylidene-1H-indol-3-yl]phenyl] hydrogen sulfate Openeye Name: [4-[3-(4-hydroxyphenyl)-5-methyl-2-oxo-indolin-3-yl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[3-(4-hydroxyphenyl)-5-methyl-2-oxo-1H-indol-3-yl]phenyl] ester IUPAC Name: [4-[3-(4-hydroxyphenyl)-5-methyl-2-oxo-1H-indol-3-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[3-(4-hydroxyphenyl)-2-keto-5-methyl-indolin-3-yl]phenyl] ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OS(=O)(=O)O

InChI

InChI=1S/C21H17NO6S/c1-13-2-11-19-18(12-13)21(20(24)22-19,14-3-7-16(23)8-4-14)15-5-9-17(10-6-15)28-29(25,26)27/h2-12,23H,1H3,(H,22,24)(H,25,26,27)