(E)-7-[5-azido-2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-azido-2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-en-6-ynyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)N=[N+]=[N-])O)O

Isomeric SMILES

CC#CCC(C)(C)C(/C=C/C1C(CC(C1C/C=C/CCCC(=O)O)N=[N+]=[N-])O)O

InChI

InChI=1S/C22H33N3O4/c1-4-5-14-22(2,3)20(27)13-12-17-16(18(24-25-23)15-19(17)26)10-8-6-7-9-11-21(28)29/h6,8,12-13,16-20,26-27H,7,9-11,14-15H2,1-3H3,(H,28,29)/b8-6+,13-12+