2-bromanyl-4-[3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-2,1-benzoxathiol-3-yl]-6-methyl-phenol

Systemtic Name: 2-bromanyl-4-[3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-2,1-benzoxathiol-3-yl]-6-methyl-phenol Openeye Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-2,1-benzoxathiol-3-yl]-6-methyl-phenol CAS Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-2,1-benzoxathiol-3-yl]-6-methylphenol IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-2,1-benzoxathiol-3-yl]-6-methylphenol Traditional Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-2,1-benzoxathiol-3-yl]-6-methyl-phenol Formula: C21H16Br2O3S MolecularWeight: 508.22294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3SO2)C4=CC(=C(C(=C4)Br)O)C)Br)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3SO2)C4=CC(=C(C(=C4)Br)O)C)Br)O

InChI

InChI=1S/C21H16Br2O3S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)27-26-21/h3-10,24-25H,1-2H3