3-chloranyl-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxy-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxy-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxy-5-methoxy-benzoic acid CAS Name: 3-chloro-4-(2,3-dimethyl-5-nitrophenyl)sulfonyloxy-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-(2,3-dimethyl-5-nitrophenyl)sulfonyloxy-5-methoxybenzoic acid Traditional Name: 3-chloro-4-(2,3-dimethyl-5-nitro-phenyl)sulfonyloxy-5-methoxy-benzoic acid Formula: C16H14ClNO8S MolecularWeight: 415.80226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO8S/c1-8-4-11(18(21)22)7-14(9(8)2)27(23,24)26-15-12(17)5-10(16(19)20)6-13(15)25-3/h4-7H,1-3H3,(H,19,20)