Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Ic2cc(cc(I)c2Oc1ccc(O)cc1)CC(N)CO |
InChI | InChI | 1.03 | InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1 |
InChIKey | InChI | 1.03 | NKOSKXJRVWVXRI-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |
SMILES | CACTVS | 3.385 | N[CH](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](CO)N)I |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1O)Oc2c(cc(cc2I)CC(CO)N)I |