4-[3,5-bis(bromanyl)-4-methoxy-phenyl]-2-hexylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(bromanyl)-4-methoxy-phenyl]-2-hexylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dibromo-4-methoxy-phenyl)-2-hexylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dibromo-4-methoxyphenyl)-2-(hexylthio)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dibromo-4-methoxyphenyl)-2-hexylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dibromo-4-methoxy-phenyl)-2-(hexylthio)-4-keto-butyric acid Formula: C17H22Br2O4S MolecularWeight: 482.22718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CC(=O)C1=CC(=C(C(=C1)Br)OC)Br)C(=O)O

Isomeric SMILES

CCCCCCSC(CC(=O)C1=CC(=C(C(=C1)Br)OC)Br)C(=O)O

InChI

InChI=1S/C17H22Br2O4S/c1-3-4-5-6-7-24-15(17(21)22)10-14(20)11-8-12(18)16(23-2)13(19)9-11/h8-9,15H,3-7,10H2,1-2H3,(H,21,22)