methyl (5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-thiophen-3-yl-dodeca-7,9-dien-11-ynoate

Systemtic Name: methyl (5S,6R,7E,9E)-5,6-bis(oxidanyl)-12-thiophen-3-yl-dodeca-7,9-dien-11-ynoate Openeye Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-(3-thienyl)dodeca-7,9-dien-11-ynoate CAS Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-(3-thiophenyl)dodeca-7,9-dien-11-ynoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E)-5,6-dihydroxy-12-thiophen-3-yldodeca-7,9-dien-11-ynoate Traditional Name: (5S,6R,7E,9E)-5,6-dihydroxy-12-(3-thienyl)dodeca-7,9-dien-11-ynoic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c1-21-17(20)10-6-9-16(19)15(18)8-5-3-2-4-7-14-11-12-22-13-14/h2-3,5,8,11-13,15-16,18-19H,6,9-10H2,1H3/b3-2+,8-5+/t15-,16+/m1/s1