[2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate

Systemtic Name: [2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate Openeye Name: [2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] ester IUPAC Name: [2-(3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3-sulfoxy-1H-indol-2-yl)-1H-indol-3-yl] ester Formula: C16H12N2O8S2 MolecularWeight: 424.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=CC=CC=C4N3)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H12N2O8S2/c19-27(20,21)25-15-9-5-1-3-7-11(9)17-13(15)14-16(26-28(22,23)24)10-6-2-4-8-12(10)18-14/h1-8,17-18H,(H,19,20,21)(H,22,23,24)