methyl 5-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)sulfanylpentanoate

Systemtic Name: methyl 5-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)sulfanylpentanoate Openeye Name: methyl 5-(5-formyl-4-hydroxy-2-methoxy-phenyl)sulfanylpentanoate CAS Name: 5-[(5-formyl-4-hydroxy-2-methoxyphenyl)thio]pentanoic acid methyl ester IUPAC Name: methyl 5-(5-formyl-4-hydroxy-2-methoxyphenyl)sulfanylpentanoate Traditional Name: 5-[(5-formyl-4-hydroxy-2-methoxy-phenyl)thio]valeric acid methyl ester Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5S/c1-18-12-8-11(16)10(9-15)7-13(12)20-6-4-3-5-14(17)19-2/h7-9,16H,3-6H2,1-2H3