2-bromanyl-3-sulfanyl-propanoic acid; 1-methoxy-4-methyl-benzene

Systemtic Name: 2-bromanyl-3-sulfanyl-propanoic acid; 1-methoxy-4-methyl-benzene Openeye Name: 2-bromo-3-sulfanyl-propanoic acid; 1-methoxy-4-methyl-benzene CAS Name: 2-bromo-3-mercaptopropanoic acid; 1-methoxy-4-methylbenzene IUPAC Name: 2-bromo-3-sulfanylpropanoic acid; 1-methoxy-4-methylbenzene Traditional Name: 2-bromo-3-mercapto-propionic acid; 1-methoxy-4-methyl-benzene Formula: C11H15BrO3S MolecularWeight: 307.204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC.C(C(C(=O)O)Br)S

Isomeric SMILES

CC1=CC=C(C=C1)OC.C(C(C(=O)O)Br)S

InChI

InChI=1S/C8H10O.C3H5BrO2S/c1-7-3-5-8(9-2)6-4-7;4-2(1-7)3(5)6/h3-6H,1-2H3;2,7H,1H2,(H,5,6)