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

Systemtic Name: [(1S,2R,5R,6R)-3-phenyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2R,5R,6R)-6-benzyloxy-3-phenyl-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate CAS Name: sulfuric acid [(1S,2R,5R,6R)-3-phenyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R,5R,6R)-3-phenyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfooxycyclohex-3-en-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,2R,5R,6R)-6-benzoxy-3-phenyl-5-(1H-pyrrol-3-yl)-2-sulfoxy-cyclohex-3-en-1-yl] ester Formula: C23H23NO9S2 MolecularWeight: 521.56002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C=C(C(C2OS(=O)(=O)O)OS(=O)(=O)O)C3=CC=CC=C3)C4=CNC=C4

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H]2[C@H](C=C([C@H]([C@H]2OS(=O)(=O)O)OS(=O)(=O)O)C3=CC=CC=C3)C4=CNC=C4

InChI

InChI=1S/C23H23NO9S2/c25-34(26,27)32-22-19(17-9-5-2-6-10-17)13-20(18-11-12-24-14-18)21(23(22)33-35(28,29)30)31-15-16-7-3-1-4-8-16/h1-14,20-24H,15H2,(H,25,26,27)(H,28,29,30)/t20-,21-,22-,23+/m1/s1