[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4,8-dimethyl-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C25H22O5S MolecularWeight: 434.50418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H22O5S/c1-16-9-11-20(12-10-16)31(27,28)30-23-14-13-21-17(2)22(15-19-7-5-4-6-8-19)25(26)29-24(21)18(23)3/h4-14H,15H2,1-3H3