1-(3-bromanylpropylsulfanyl)-4-methyl-benzene; 4-oxidanylidenebutanoic acid

Systemtic Name: 1-(3-bromanylpropylsulfanyl)-4-methyl-benzene; 4-oxidanylidenebutanoic acid Openeye Name: 1-(3-bromopropylsulfanyl)-4-methyl-benzene; 4-oxobutanoic acid CAS Name: 1-(3-bromopropylthio)-4-methylbenzene; 4-oxobutanoic acid IUPAC Name: 1-(3-bromopropylsulfanyl)-4-methylbenzene; 4-oxobutanoic acid Traditional Name: 1-(3-bromopropylthio)-4-methyl-benzene; succinaldehydic acid Formula: C14H19BrO3S MolecularWeight: 347.26786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCBr.C(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCBr.C(CC(=O)O)C=O

InChI

InChI=1S/C10H13BrS.C4H6O3/c1-9-3-5-10(6-4-9)12-8-2-7-11;5-3-1-2-4(6)7/h3-6H,2,7-8H2,1H3;3H,1-2H2,(H,6,7)