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

Systemtic Name: methyl (E)-5-oxidanyl-7-[3-(1-oxidanylnonyl)thiophen-2-yl]hept-6-enoate Openeye Name: methyl (E)-5-hydroxy-7-[3-(1-hydroxynonyl)-2-thienyl]hept-6-enoate CAS Name: (E)-5-hydroxy-7-[3-(1-hydroxynonyl)-2-thiophenyl]-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-5-hydroxy-7-[3-(1-hydroxynonyl)thiophen-2-yl]hept-6-enoate Traditional Name: (E)-5-hydroxy-7-[3-(1-hydroxynonyl)-2-thienyl]hept-6-enoic acid methyl ester Formula: C21H34O4S MolecularWeight: 382.55726

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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=C/C(CCCC(=O)OC)O)O

InChI

InChI=1S/C21H34O4S/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/h13-17,19,22-23H,3-12H2,1-2H3/b14-13+