5-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)sulfanylpentanoic acid

Systemtic Name: 5-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)sulfanylpentanoic acid Openeye Name: 5-(5-formyl-4-hydroxy-2-methoxy-phenyl)sulfanylpentanoic acid CAS Name: 5-[(5-formyl-4-hydroxy-2-methoxyphenyl)thio]pentanoic acid IUPAC Name: 5-(5-formyl-4-hydroxy-2-methoxyphenyl)sulfanylpentanoic acid Traditional Name: 5-[(5-formyl-4-hydroxy-2-methoxy-phenyl)thio]valeric acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)C=O)SCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)C=O)SCCCCC(=O)O

InChI

InChI=1S/C13H16O5S/c1-18-11-7-10(15)9(8-14)6-12(11)19-5-3-2-4-13(16)17/h6-8,15H,2-5H2,1H3,(H,16,17)