(3-oxidanylidene-2-phenyl-benzo[f]chromen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-2-phenyl-benzo[f]chromen-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-oxo-2-phenyl-benzo[f]chromen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-2-phenyl-1-benzo[f][1]benzopyranyl) ester IUPAC Name: (3-oxo-2-phenylbenzo[f]chromen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-2-phenyl-benzo[f]chromen-1-yl) ester Formula: C26H18O5S MolecularWeight: 442.48312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H18O5S/c1-17-11-14-20(15-12-17)32(28,29)31-25-23(19-8-3-2-4-9-19)26(27)30-22-16-13-18-7-5-6-10-21(18)24(22)25/h2-16H,1H3