Nombre: material 5e

IUPAC: 2-[carboxymethyl-[4-(4-iodophenoxy)phenyl]sulfonylamino]acetic acid

SMILES: O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(I)cc2)cc1

Canonical SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)I)S(=O)(=O)N(CC(=O)O)CC(=O)O

Fórmula molecular: C16H14INO7S

Masa molecular: 491.30

InChIKey: JCTIOVJUFCLWPB-UHFFFAOYSA-N

InChI:

InChI=1S/C16H14INO7S/c17-11-1-3-12(4-2-11)25-13-5-7-14(8-6-13)26(23,24)18(9-15(19)20)10-16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)

Sinónimos

SCHEMBL1133756JCTIOVJUFCLWPB-UHFFFAOYSA-N{[4-(4-Iodo-phenoxy)-benzenesulphonyl]-carboxymethyl-amino}-acetic acid