[(1S,2R,5R,6R)-3-naphthalen-1-yl-6-oxidanyl-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate

Systemtic Name: [(1S,2R,5R,6R)-3-naphthalen-1-yl-6-oxidanyl-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2R,5R,6R)-6-hydroxy-3-(1-naphthyl)-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate CAS Name: sulfuric acid [(1S,2R,5R,6R)-6-hydroxy-3-(1-naphthalenyl)-5-(1H-pyrrol-3-yl)-2-sulfooxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R,5R,6R)-6-hydroxy-3-naphthalen-1-yl-5-(1H-pyrrol-3-yl)-2-sulfooxycyclohex-3-en-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,2R,5R,6R)-6-hydroxy-3-(1-naphthyl)-5-(1H-pyrrol-3-yl)-2-sulfoxy-cyclohex-3-en-1-yl] ester Formula: C20H19NO9S2 MolecularWeight: 481.49616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC(C(C(C3OS(=O)(=O)O)OS(=O)(=O)O)O)C4=CNC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C[C@@H]([C@H]([C@@H]([C@@H]3OS(=O)(=O)O)OS(=O)(=O)O)O)C4=CNC=C4

InChI

InChI=1S/C20H19NO9S2/c22-18-16(13-8-9-21-11-13)10-17(15-7-3-5-12-4-1-2-6-14(12)15)19(29-31(23,24)25)20(18)30-32(26,27)28/h1-11,16,18-22H,(H,23,24,25)(H,26,27,28)/t16-,18-,19-,20+/m1/s1