3-chloranyl-5-methoxy-4-(4-methyl-3-nitro-phenyl)sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-(4-methyl-3-nitro-phenyl)sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(4-methyl-3-nitro-phenyl)sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(4-methyl-3-nitrophenyl)sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(4-methyl-3-nitrophenyl)sulfonyloxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-(4-methyl-3-nitro-phenyl)sulfonyloxy-benzoic acid Formula: C15H12ClNO8S MolecularWeight: 401.77568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO8S/c1-8-3-4-10(7-12(8)17(20)21)26(22,23)25-14-11(16)5-9(15(18)19)6-13(14)24-2/h3-7H,1-2H3,(H,18,19)