methyl 5-oxidanyl-7-[3-(1-oxidanylnonyl)thiophen-2-yl]hept-6-ynoate

Systemtic Name: methyl 5-oxidanyl-7-[3-(1-oxidanylnonyl)thiophen-2-yl]hept-6-ynoate Openeye Name: methyl 5-hydroxy-7-[3-(1-hydroxynonyl)-2-thienyl]hept-6-ynoate CAS Name: 5-hydroxy-7-[3-(1-hydroxynonyl)-2-thiophenyl]-6-heptynoic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-[3-(1-hydroxynonyl)thiophen-2-yl]hept-6-ynoate Traditional Name: 5-hydroxy-7-[3-(1-hydroxynonyl)-2-thienyl]hept-6-ynoic acid methyl ester Formula: C21H32O4S MolecularWeight: 380.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=C(SC=C1)C#CC(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(C1=C(SC=C1)C#CC(CCCC(=O)OC)O)O

InChI

InChI=1S/C21H32O4S/c1-3-4-5-6-7-8-11-19(23)18-15-16-26-20(18)14-13-17(22)10-9-12-21(24)25-2/h15-17,19,22-23H,3-12H2,1-2H3