9-[5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-2-yl]nonanoic acid

Systemtic Name: 9-[5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]thiophen-2-yl]nonanoic acid Openeye Name: 9-[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-thienyl]nonanoic acid CAS Name: 9-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-thiophenyl]nonanoic acid IUPAC Name: 9-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]thiophen-2-yl]nonanoic acid Traditional Name: 9-[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-thienyl]pelargonic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C=CC(=O)O)CCCCCCCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)/C=C/C(=O)O)CCCCCCCCC(=O)O

InChI

InChI=1S/C16H22O4S/c17-15(18)8-6-4-2-1-3-5-7-13-9-10-14(21-13)11-12-16(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)/b12-11+