disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate

Systemtic Name: disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate Openeye Name: disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate CAS Name: disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate IUPAC Name: disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate Traditional Name: disodium 14-oxabicyclo[25.4.0]hentriaconta-1(27),28,30-triene-28-sulfonate Formula: C60H102Na2O8S2 MolecularWeight: 1061.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCOCCCCCCCCCCCCC2=C(CCCCC1)C=CC=C2S(=O)(=O)[O-].C1CCCCCCOCCCCCCCCCCCCC2=C(CCCCC1)C=CC=C2S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCCCCCOCCCCCCCCCCCCC2=C(CCCCC1)C=CC=C2S(=O)(=O)[O-].C1CCCCCCOCCCCCCCCCCCCC2=C(CCCCC1)C=CC=C2S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C30H52O4S.2Na/c2*31-35(32,33)30-25-21-23-28-22-17-13-9-5-1-3-7-11-15-19-26-34-27-20-16-12-8-4-2-6-10-14-18-24-29(28)30;;/h2*21,23,25H,1-20,22,24,26-27H2,(H,31,32,33);;/q;;2*+1/p-2