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

Systemtic Name: (E)-7-[5-azido-2-[(E)-3-methyl-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-3-methyl-oct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]cyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-3-methyloct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[5-azido-3-hydroxy-2-[(E)-3-hydroxy-3-methyl-oct-1-en-6-ynyl]cyclopentyl]hept-5-enoic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-3-4-9-13-21(2,28)14-12-17-16(18(23-24-22)15-19(17)25)10-7-5-6-8-11-20(26)27/h5,7,12,14,16-19,25,28H,6,8-11,13,15H2,1-2H3,(H,26,27)/b7-5+,14-12+