2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-methoxy-benzoic acid

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-methoxy-benzoic acid Openeye Name: 2-(4-chloro-2-nitro-phenyl)sulfanyl-5-methoxy-benzoic acid CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]-5-methoxybenzoic acid IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanyl-5-methoxybenzoic acid Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]-5-methoxy-benzoic acid Formula: C14H10ClNO5S MolecularWeight: 339.7509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClNO5S/c1-21-9-3-5-12(10(7-9)14(17)18)22-13-4-2-8(15)6-11(13)16(19)20/h2-7H,1H3,(H,17,18)