6-methyl-4-[(2-methylphenyl)sulfonylmethyl]-2H-chromene

Systemtic Name: 6-methyl-4-[(2-methylphenyl)sulfonylmethyl]-2H-chromene Openeye Name: 6-methyl-4-(o-tolylsulfonylmethyl)-2H-chromene CAS Name: 6-methyl-4-[(2-methylphenyl)sulfonylmethyl]-2H-1-benzopyran IUPAC Name: 6-methyl-4-[(2-methylphenyl)sulfonylmethyl]-2H-chromene Traditional Name: 6-methyl-4-(o-tolylsulfonylmethyl)-2H-chromene Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC=C2CS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC=C2CS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C18H18O3S/c1-13-7-8-17-16(11-13)15(9-10-21-17)12-22(19,20)18-6-4-3-5-14(18)2/h3-9,11H,10,12H2,1-2H3