5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: 5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylate Openeye Name: 5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-tert-butyl-4-[(butylthio)methyl]-2-furancarboxylate IUPAC Name: 5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-tert-butyl-4-[(butylthio)methyl]-2-furoate Formula: C14H21O3S- MolecularWeight: 269.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(OC(=C1)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CCCCSCC1=C(OC(=C1)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C14H22O3S/c1-5-6-7-18-9-10-8-11(13(15)16)17-12(10)14(2,3)4/h8H,5-7,9H2,1-4H3,(H,15,16)/p-1