[4-(3-oxidanylidenebutyl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,3-dihydrobenzofuran-5-sulfonate CAS Name: 2,3-dihydrobenzofuran-5-sulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,3-dihydro-1-benzofuran-5-sulfonate Traditional Name: coumaran-5-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C18H18O5S/c1-13(19)2-3-14-4-6-16(7-5-14)23-24(20,21)17-8-9-18-15(12-17)10-11-22-18/h4-9,12H,2-3,10-11H2,1H3