methyl (Z)-5-oxidanyl-2-[5-(1-oxidanylnonyl)thiophen-2-yl]hept-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C1=CC=C(S1)C(=CCC(CC)O)C(=O)OC)O

Isomeric SMILES

CCCCCCCCC(C1=CC=C(S1)/C(=C\CC(CC)O)/C(=O)OC)O

InChI

InChI=1S/C21H34O4S/c1-4-6-7-8-9-10-11-18(23)20-15-14-19(26-20)17(21(24)25-3)13-12-16(22)5-2/h13-16,18,22-23H,4-12H2,1-3H3/b17-13+