methyl 2-pentyl-5-(phenylsulfonylmethyl)furan-3-carboxylate

Systemtic Name: methyl 2-pentyl-5-(phenylsulfonylmethyl)furan-3-carboxylate Openeye Name: methyl 5-(benzenesulfonylmethyl)-2-pentyl-furan-3-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-pentyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonylmethyl)-2-pentylfuran-3-carboxylate Traditional Name: 2-amyl-5-(besylmethyl)furan-3-carboxylic acid methyl ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C=C(O1)CS(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22O5S/c1-3-4-6-11-17-16(18(19)22-2)12-14(23-17)13-24(20,21)15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3