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

Systemtic Name: disodium [(1S,2R,5S,6R)-5-methoxy-3-naphthalen-2-yl-6-phenylmethoxy-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate Openeye Name: disodium [(1S,2R,5S,6R)-6-benzyloxy-5-methoxy-3-(2-naphthyl)-2-sulfonatooxy-cyclohex-3-en-1-yl] sulfate CAS Name: disodium [(1S,2R,5S,6R)-5-methoxy-3-(2-naphthalenyl)-6-phenylmethoxy-2-sulfonatooxy-1-cyclohex-3-enyl] sulfate IUPAC Name: disodium [(1S,2R,5S,6R)-5-methoxy-3-naphthalen-2-yl-6-phenylmethoxy-2-sulfonatooxycyclohex-3-en-1-yl] sulfate Traditional Name: disodium [(1S,2R,5S,6R)-6-benzoxy-5-methoxy-3-(2-naphthyl)-2-sulfato-cyclohex-3-en-1-yl] sulfate Formula: C24H22Na2O10S2 MolecularWeight: 580.53502

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(C(C(C1OCC2=CC=CC=C2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C3=CC4=CC=CC=C4C=C3.[Na+].[Na+]

Isomeric SMILES

CO[C@H]1C=C([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C3=CC4=CC=CC=C4C=C3.[Na+].[Na+]

InChI

InChI=1S/C24H24O10S2.2Na/c1-31-21-14-20(19-12-11-17-9-5-6-10-18(17)13-19)22(33-35(25,26)27)24(34-36(28,29)30)23(21)32-15-16-7-3-2-4-8-16;;/h2-14,21-24H,15H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/t21-,22+,23+,24+;;/m0../s1