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

Systemtic Name: disodium [(1S,2R,5R,6R)-3-phenyl-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-phenyl-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate CAS Name: disodium [(1S,2R,5R,6R)-3-phenyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxy-1-cyclohex-3-enyl] sulfate IUPAC Name: disodium [(1S,2R,5R,6R)-3-phenyl-6-phenylmethoxy-5-(1H-pyrrol-3-yl)-2-sulfonatooxycyclohex-3-en-1-yl] sulfate Traditional Name: disodium [(1S,2R,5R,6R)-6-benzoxy-3-phenyl-5-(1H-pyrrol-3-yl)-2-sulfato-cyclohex-3-en-1-yl] sulfate Formula: C23H21NNa2O9S2 MolecularWeight: 565.52368

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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.[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=CC=CC=C3)C4=CNC=C4.[Na+].[Na+]

InChI

InChI=1S/C23H23NO9S2.2Na/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);;/q;2*+1/p-2/t20-,21-,22-,23+;;/m1../s1