methyl (5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-pyrazin-2-yl-dodeca-7,9-dien-11-ynoate

Systemtic Name: methyl (5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-pyrazin-2-yl-dodeca-7,9-dien-11-ynoate Openeye Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-pyrazin-2-yl-dodeca-7,9-dien-11-ynoate CAS Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-(2-pyrazinyl)dodeca-7,9-dien-11-ynoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-pyrazin-2-yldodeca-7,9-dien-11-ynoate Traditional Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-pyrazin-2-yl-dodeca-7,9-dien-11-ynoic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(C=CC=CC#CC1=NC=CN=C1)O)O

Isomeric SMILES

COC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C#CC1=NC=CN=C1)O)O

InChI

InChI=1S/C17H20N2O4/c1-23-17(22)10-6-9-16(21)15(20)8-5-3-2-4-7-14-13-18-11-12-19-14/h2-3,5,8,11-13,15-16,20-21H,6,9-10H2,1H3/b3-2+,8-5+/t15-,16+/m1/s1