1-acetyloxy-3-(4-bromophenyl)-4-methoxy-4-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 1-acetyloxy-3-(4-bromophenyl)-4-methoxy-4-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1-acetoxy-3-(4-bromophenyl)-4-methoxy-4-oxo-butane-2-sulfonic acid CAS Name: 1-acetyloxy-3-(4-bromophenyl)-4-methoxy-4-oxo-2-butanesulfonic acid IUPAC Name: 1-acetyloxy-3-(4-bromophenyl)-4-methoxy-4-oxobutane-2-sulfonic acid Traditional Name: 1-acetoxy-3-(4-bromophenyl)-4-keto-4-methoxy-butane-2-sulfonic acid Formula: C13H15BrO7S MolecularWeight: 395.223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1=CC=C(C=C1)Br)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CC(=O)OCC(C(C1=CC=C(C=C1)Br)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C13H15BrO7S/c1-8(15)21-7-11(22(17,18)19)12(13(16)20-2)9-3-5-10(14)6-4-9/h3-6,11-12H,7H2,1-2H3,(H,17,18,19)