3-chloranyl-4-(3-ethanoylphenyl)sulfonyloxy-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-(3-ethanoylphenyl)sulfonyloxy-5-methoxy-benzoic acid Openeye Name: 4-(3-acetylphenyl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 4-(3-acetylphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-(3-acetylphenyl)sulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 4-(3-acetylphenyl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C16H13ClO7S MolecularWeight: 384.78822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClO7S/c1-9(18)10-4-3-5-12(6-10)25(21,22)24-15-13(17)7-11(16(19)20)8-14(15)23-2/h3-8H,1-2H3,(H,19,20)