7-[[6-(1,3-benzodioxol-5-yloxy)-5-oxidanyl-hexyl]sulfonylamino]heptanoic acid

Systemtic Name: 7-[[6-(1,3-benzodioxol-5-yloxy)-5-oxidanyl-hexyl]sulfonylamino]heptanoic acid Openeye Name: 7-[[6-(1,3-benzodioxol-5-yloxy)-5-hydroxy-hexyl]sulfonylamino]heptanoic acid CAS Name: 7-[[6-(1,3-benzodioxol-5-yloxy)-5-hydroxyhexyl]sulfonylamino]heptanoic acid IUPAC Name: 7-[[6-(1,3-benzodioxol-5-yloxy)-5-hydroxyhexyl]sulfonylamino]heptanoic acid Traditional Name: 7-[[6-(1,3-benzodioxol-5-yloxy)-5-hydroxy-hexyl]sulfonylamino]enanthic acid Formula: C20H31NO8S MolecularWeight: 445.52704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC(CCCCS(=O)(=O)NCCCCCCC(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC(CCCCS(=O)(=O)NCCCCCCC(=O)O)O

InChI

InChI=1S/C20H31NO8S/c22-16(14-27-17-9-10-18-19(13-17)29-15-28-18)7-4-6-12-30(25,26)21-11-5-2-1-3-8-20(23)24/h9-10,13,16,21-22H,1-8,11-12,14-15H2,(H,23,24)