8-(2-acetyloxyphenyl)carbonyloxy-7-iodanyl-quinoline-5-sulfonic acid

Systemtic Name: 8-(2-acetyloxyphenyl)carbonyloxy-7-iodanyl-quinoline-5-sulfonic acid Openeye Name: 8-(2-acetoxybenzoyl)oxy-7-iodo-quinoline-5-sulfonic acid CAS Name: 8-[(2-acetyloxyphenyl)-oxomethoxy]-7-iodo-5-quinolinesulfonic acid IUPAC Name: 8-(2-acetyloxybenzoyl)oxy-7-iodoquinoline-5-sulfonic acid Traditional Name: 8-(2-acetoxybenzoyl)oxy-7-iodo-quinoline-5-sulfonic acid Formula: C18H12INO7S MolecularWeight: 513.25985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

InChI

InChI=1S/C18H12INO7S/c1-10(21)26-14-7-3-2-5-11(14)18(22)27-17-13(19)9-15(28(23,24)25)12-6-4-8-20-16(12)17/h2-9H,1H3,(H,23,24,25)