3-bromanyl-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydrochromen-4-ol; 2H-chromen-4-ol

Systemtic Name: 3-bromanyl-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydrochromen-4-ol; 2H-chromen-4-ol Openeye Name: 3-bromo-2,2-dimethyl-6-(p-tolylsulfonyl)chroman-4-ol; 2H-chromen-4-ol CAS Name: 2H-1-benzopyran-4-ol; 3-bromo-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 3-bromo-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydrochromen-4-ol; 2H-chromen-4-ol Traditional Name: 3-bromo-2,2-dimethyl-6-tosyl-chroman-4-ol; 2H-chromen-4-ol Formula: C27H27BrO6S MolecularWeight: 559.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(C(C3O)Br)(C)C.C1C=C(C2=CC=CC=C2O1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)OC(C(C3O)Br)(C)C.C1C=C(C2=CC=CC=C2O1)O

InChI

InChI=1S/C18H19BrO4S.C9H8O2/c1-11-4-6-12(7-5-11)24(21,22)13-8-9-15-14(10-13)16(20)17(19)18(2,3)23-15;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-10,16-17,20H,1-3H3;1-5,10H,6H2