[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-methylbenzenesulfonate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C24H19ClO5S MolecularWeight: 454.92266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C(C(=O)OC3=C2)CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C24H19ClO5S/c1-15-8-10-18(11-9-15)31(27,28)30-23-14-22-19(13-21(23)25)16(2)20(24(26)29-22)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3