7-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]heptanoic acid

Systemtic Name: 7-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]heptanoic acid Openeye Name: 7-[5-[(E)-3-oxooct-1-enyl]-2-thienyl]heptanoic acid CAS Name: 7-[5-[(E)-3-oxooct-1-enyl]-2-thiophenyl]heptanoic acid IUPAC Name: 7-[5-[(E)-3-oxooct-1-enyl]thiophen-2-yl]heptanoic acid Traditional Name: 7-[5-[(E)-3-ketooct-1-enyl]-2-thienyl]enanthic acid Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=CC=C(S1)CCCCCCC(=O)O

Isomeric SMILES

CCCCCC(=O)/C=C/C1=CC=C(S1)CCCCCCC(=O)O

InChI

InChI=1S/C19H28O3S/c1-2-3-6-9-16(20)12-13-18-15-14-17(23-18)10-7-4-5-8-11-19(21)22/h12-15H,2-11H2,1H3,(H,21,22)/b13-12+