[(1S,2R,5R,6R)-3-naphthalen-1-yl-6-phenylmethoxy-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-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2R,5R,6R)-6-benzyloxy-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)-3-(1-naphthalenyl)-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfooxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R,5R,6R)-3-naphthalen-1-yl-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-(1-naphthyl)-5-(1H-pyrrol-3-yl)-2-sulfoxy-cyclohex-3-en-1-yl] ester Formula: C27H25NO9S2 MolecularWeight: 571.6187

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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=CC4=CC=CC=C43)C5=CNC=C5

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=CC4=CC=CC=C43)C5=CNC=C5

InChI

InChI=1S/C27H25NO9S2/c29-38(30,31)36-26-24(22-12-6-10-19-9-4-5-11-21(19)22)15-23(20-13-14-28-16-20)25(27(26)37-39(32,33)34)35-17-18-7-2-1-3-8-18/h1-16,23,25-28H,17H2,(H,29,30,31)(H,32,33,34)/t23-,25-,26-,27+/m1/s1