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

Systemtic Name: methyl (5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-phenyl-dodeca-7,9-dien-11-ynoate Openeye Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-phenyl-dodeca-7,9-dien-11-ynoate CAS Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-phenyldodeca-7,9-dien-11-ynoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-phenyldodeca-7,9-dien-11-ynoate Traditional Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-phenyl-dodeca-7,9-dien-11-ynoic acid methyl ester Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4/c1-23-19(22)15-9-14-18(21)17(20)13-8-3-2-5-10-16-11-6-4-7-12-16/h2-4,6-8,11-13,17-18,20-21H,9,14-15H2,1H3/b3-2+,13-8+/t17-,18+/m1/s1