disodium [3-(1-acetyloxy-25-oxidanyl-pentacosyl)-5-sulfonatooxy-phenyl] sulfate

Systemtic Name: disodium [3-(1-acetyloxy-25-oxidanyl-pentacosyl)-5-sulfonatooxy-phenyl] sulfate Openeye Name: disodium [3-(1-acetoxy-25-hydroxy-pentacosyl)-5-sulfonatooxy-phenyl] sulfate CAS Name: disodium [3-(1-acetyloxy-25-hydroxypentacosyl)-5-sulfonatooxyphenyl] sulfate IUPAC Name: disodium [3-(1-acetyloxy-25-hydroxypentacosyl)-5-sulfonatooxyphenyl] sulfate Traditional Name: disodium [3-(1-acetoxy-25-hydroxy-pentacosyl)-5-sulfato-phenyl] sulfate Formula: C33H56Na2O11S2 MolecularWeight: 738.90068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCCCO)C1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCCCO)C1=CC(=CC(=C1)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C33H58O11S2.2Na/c1-29(35)42-33(30-26-31(43-45(36,37)38)28-32(27-30)44-46(39,40)41)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-34;;/h26-28,33-34H,2-25H2,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2