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

Systemtic Name: 4-(3-acetamido-4-methoxy-phenyl)sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid Openeye Name: 4-(3-acetamido-4-methoxy-phenyl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 4-(3-acetamido-4-methoxyphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-(3-acetamido-4-methoxyphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 4-(3-acetamido-4-methoxy-phenyl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C17H16ClNO8S MolecularWeight: 429.82884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)OC

InChI

InChI=1S/C17H16ClNO8S/c1-9(20)19-13-8-11(4-5-14(13)25-2)28(23,24)27-16-12(18)6-10(17(21)22)7-15(16)26-3/h4-8H,1-3H3,(H,19,20)(H,21,22)