8-(4-ethoxyphenyl)carbonyloxy-7-iodanyl-quinoline-5-sulfonic acid

Systemtic Name: 8-(4-ethoxyphenyl)carbonyloxy-7-iodanyl-quinoline-5-sulfonic acid Openeye Name: 8-(4-ethoxybenzoyl)oxy-7-iodo-quinoline-5-sulfonic acid CAS Name: 8-[(4-ethoxyphenyl)-oxomethoxy]-7-iodo-5-quinolinesulfonic acid IUPAC Name: 8-(4-ethoxybenzoyl)oxy-7-iodoquinoline-5-sulfonic acid Traditional Name: 8-(4-ethoxybenzoyl)oxy-7-iodo-quinoline-5-sulfonic acid Formula: C18H14INO6S MolecularWeight: 499.27633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)S(=O)(=O)O)I

InChI

InChI=1S/C18H14INO6S/c1-2-25-12-7-5-11(6-8-12)18(21)26-17-14(19)10-15(27(22,23)24)13-4-3-9-20-16(13)17/h3-10H,2H2,1H3,(H,22,23,24)