(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C

InChI

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