Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)I)[C@H]=C(C(O)=O)SSC(C(O)=O)=[C@H]c2ccc(cc2)I |
InChI | InChI | 1.03 | InChI=1S/C18H12I2O4S2/c19-13-5-1-11(2-6-13)9-15(17(21)22)25-26-16(18(23)24)10-12-3-7-14(20)8-4-12/h1-10H,(H,21,22)(H,23,24)/b15-9-,16-10+ |
InChIKey | InChI | 1.03 | RLKZEUBAGNQDNM-CKOAPEAFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(SS\C(=C/c1ccc(I)cc1)C(O)=O)=C/c2ccc(I)cc2 |
SMILES | CACTVS | 3.385 | OC(=O)C(SSC(=Cc1ccc(I)cc1)C(O)=O)=Cc2ccc(I)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1/C=C(\C(=O)O)/SS/C(=C\c2ccc(cc2)I)/C(=O)O)I |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1C=C(C(=O)O)SSC(=Cc2ccc(cc2)I)C(=O)O)I |