methoxybenzene; 3-phenyl-3-sulfanyl-propanoic acid

Systemtic Name: methoxybenzene; 3-phenyl-3-sulfanyl-propanoic acid Openeye Name: anisole; 3-phenyl-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-3-phenylpropanoic acid; methoxybenzene IUPAC Name: anisole; 3-phenyl-3-sulfanylpropanoic acid Traditional Name: anisole; 3-mercapto-3-phenyl-propionic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1=CC=C(C=C1)C(CC(=O)O)S

Isomeric SMILES

COC1=CC=CC=C1.C1=CC=C(C=C1)C(CC(=O)O)S

InChI

InChI=1S/C9H10O2S.C7H8O/c10-9(11)6-8(12)7-4-2-1-3-5-7;1-8-7-5-3-2-4-6-7/h1-5,8,12H,6H2,(H,10,11);2-6H,1H3