disodium [(1S,2R,5R,6R)-3-naphthalen-2-yl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate

Systemtic Name: disodium [(1S,2R,5R,6R)-3-naphthalen-2-yl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate Openeye Name: disodium [(1S,2R,5R,6R)-6-benzyloxy-3-(2-naphthyl)-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate CAS Name: disodium [(1S,2R,5R,6R)-3-(2-naphthalenyl)-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-1-cyclohex-3-enyl] sulfate IUPAC Name: disodium [(1S,2R,5R,6R)-3-naphthalen-2-yl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxycyclohex-3-en-1-yl] sulfate Traditional Name: disodium [(1S,2R,5R,6R)-6-benzoxy-3-(2-naphthyl)-5-(1H-pyrrol-3-yl)-2-sulfato-cyclohex-3-en-1-yl] sulfate Formula: C27H23NNa2O9S2 MolecularWeight: 615.58236

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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=CC4=CC=CC=C4C=C3)C5=CNC=C5.[Na+].[Na+]

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=CC4=CC=CC=C4C=C3)C5=CNC=C5.[Na+].[Na+]

InChI

InChI=1S/C27H25NO9S2.2Na/c29-38(30,31)36-26-23(21-11-10-19-8-4-5-9-20(19)14-21)15-24(22-12-13-28-16-22)25(27(26)37-39(32,33)34)35-17-18-6-2-1-3-7-18;;/h1-16,24-28H,17H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t24-,25-,26-,27+;;/m1../s1