[(1S,2R,5R,6R)-3-naphthalen-1-yl-6-phenylmethoxy-2-sulfooxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]cyclohex-3-en-1-yl] hydrogen sulfate

Systemtic Name: [(1S,2R,5R,6R)-3-naphthalen-1-yl-6-phenylmethoxy-2-sulfooxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]cyclohex-3-en-1-yl] hydrogen sulfate Openeye Name: [(1S,2R,5R,6R)-6-benzyloxy-3-(1-naphthyl)-2-sulfooxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]cyclohex-3-en-1-yl] hydrogen sulfate CAS Name: sulfuric acid [(1S,2R,5R,6R)-3-(1-naphthalenyl)-6-phenylmethoxy-2-sulfooxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolyl]-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R,5R,6R)-3-naphthalen-1-yl-6-phenylmethoxy-2-sulfooxy-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]cyclohex-3-en-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S,2R,5R,6R)-6-benzoxy-3-(1-naphthyl)-2-sulfoxy-5-[1-[4-(trifluoromethyl)benzyl]pyrrol-3-yl]cyclohex-3-en-1-yl] ester Formula: C35H30F3NO9S2 MolecularWeight: 729.73921

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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=CN(C=C5)CC6=CC=C(C=C6)C(F)(F)F

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=CN(C=C5)CC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C35H30F3NO9S2/c36-35(37,38)27-15-13-23(14-16-27)20-39-18-17-26(21-39)30-19-31(29-12-6-10-25-9-4-5-11-28(25)29)33(47-49(40,41)42)34(48-50(43,44)45)32(30)46-22-24-7-2-1-3-8-24/h1-19,21,30,32-34H,20,22H2,(H,40,41,42)(H,43,44,45)/t30-,32-,33-,34+/m1/s1