3-[5-[(9E,12E)-octadeca-9,12-dienoxy]thiophen-2-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[5-[(9E,12E)-octadeca-9,12-dienoxy]thiophen-2-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[5-[(9E,12E)-octadeca-9,12-dienoxy]-2-thienyl]-3-oxo-propanoic acid CAS Name: 3-[5-[(9E,12E)-octadeca-9,12-dienoxy]-2-thiophenyl]-3-oxopropanoic acid IUPAC Name: 3-[5-[(9E,12E)-octadeca-9,12-dienoxy]thiophen-2-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[5-[(9E,12E)-octadeca-9,12-dienoxy]-2-thienyl]propionic acid Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC1=CC=C(S1)C(=O)CC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC1=CC=C(S1)C(=O)CC(=O)O

InChI

InChI=1S/C25H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25-19-18-23(30-25)22(26)21-24(27)28/h6-7,9-10,18-19H,2-5,8,11-17,20-21H2,1H3,(H,27,28)/b7-6+,10-9+