sodium [(1R,2R,3S,5R,6R)-3-naphthalen-1-yl-2-oxidanyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)cyclohexyl] sulfate

Systemtic Name: sodium [(1R,2R,3S,5R,6R)-3-naphthalen-1-yl-2-oxidanyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)cyclohexyl] sulfate Openeye Name: sodium [(1R,2R,3R,5S,6R)-2-benzyloxy-6-hydroxy-5-(1-naphthyl)-3-(1H-pyrrol-3-yl)cyclohexyl] sulfate CAS Name: sodium [(1R,2R,3S,5R,6R)-2-hydroxy-3-(1-naphthalenyl)-6-phenylmethoxy-5-(1H-pyrrol-3-yl)cyclohexyl] sulfate IUPAC Name: sodium [(1R,2R,3S,5R,6R)-2-hydroxy-3-naphthalen-1-yl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)cyclohexyl] sulfate Traditional Name: sodium [(1R,2R,3R,5S,6R)-2-benzoxy-6-hydroxy-5-(1-naphthyl)-3-(1H-pyrrol-3-yl)cyclohexyl] sulfate Formula: C27H26NNaO6S MolecularWeight: 515.55321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1C2=CNC=C2)OCC3=CC=CC=C3)OS(=O)(=O)[O-])O)C4=CC=CC5=CC=CC=C54.[Na+]

Isomeric SMILES

C1[C@H]([C@H]([C@H]([C@@H]([C@H]1C2=CNC=C2)OCC3=CC=CC=C3)OS(=O)(=O)[O-])O)C4=CC=CC5=CC=CC=C54.[Na+]

InChI

InChI=1S/C27H27NO6S.Na/c29-25-24(22-12-6-10-19-9-4-5-11-21(19)22)15-23(20-13-14-28-16-20)26(27(25)34-35(30,31)32)33-17-18-7-2-1-3-8-18;/h1-14,16,23-29H,15,17H2,(H,30,31,32);/q;+1/p-1/t23-,24+,25-,26-,27-;/m1./s1