(3-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate

Systemtic Name: (3-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate Openeye Name: (3-ethyl-4-methyl-2-oxo-chromen-7-yl) benzenesulfonate CAS Name: benzenesulfonic acid (3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-ethyl-4-methyl-2-oxochromen-7-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C18H16O5S/c1-3-15-12(2)16-10-9-13(11-17(16)22-18(15)19)23-24(20,21)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3