[4-(3-oxidanylidenebutyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H18O6S MolecularWeight: 362.39692

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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)OCCO3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18O6S/c1-13(19)2-3-14-4-6-15(7-5-14)24-25(20,21)16-8-9-17-18(12-16)23-11-10-22-17/h4-9,12H,2-3,10-11H2,1H3