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

Systemtic Name: (4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) benzenesulfonate Openeye Name: (4-methyl-2-oxo-3-propyl-chromen-7-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxo-3-propylchromen-7-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C19H18O5S/c1-3-7-17-13(2)16-11-10-14(12-18(16)23-19(17)20)24-25(21,22)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3