7-(5-bromanyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(5-bromanyl-2-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(5-bromo-2-methoxy-phenyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(5-bromo-2-methoxyphenyl)-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(5-bromo-2-methoxyphenyl)-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(5-bromo-2-methoxy-phenyl)-2-tosyl-enanthic acid Formula: C21H25BrO5S MolecularWeight: 469.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=C(C=CC(=C2)Br)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=C(C=CC(=C2)Br)OC)C(=O)O

InChI

InChI=1S/C21H25BrO5S/c1-15-8-11-18(12-9-15)28(25,26)20(21(23)24)7-5-3-4-6-16-14-17(22)10-13-19(16)27-2/h8-14,20H,3-7H2,1-2H3,(H,23,24)