3-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-chloranyl-6-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-chloro-6-nitro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-chloro-6-nitrophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-chloro-6-nitrophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-chloro-6-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)C(C(C(=O)O)O)SC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

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