[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-chloranylbenzenesulfonate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C23H17ClO5S MolecularWeight: 440.89608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H17ClO5S/c1-15-20-12-9-18(29-30(26,27)19-10-7-17(24)8-11-19)14-22(20)28-23(25)21(15)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3