2-(5-chloranyl-2-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 2-(5-chloro-2-nitro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[(5-chloro-2-nitrophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-(5-chloro-2-nitrophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[(5-chloro-2-nitro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)(O)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)(O)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO6S/c1-24-12-5-2-10(3-6-12)9-16(21,15(19)20)25-14-8-11(17)4-7-13(14)18(22)23/h2-8,21H,9H2,1H3,(H,19,20)