Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C29H34O11P2/c30-26-12-1-9-23-22(26)8-2-13-27(23)36-17-6-20-39-42(33,34)40-21-7-18-37-29-15-4-10-24-25(29)11-3-14-28(24)35-16-5-19-38-41(31)32/h1-4,8-15,30-32H,5-7,16-21H2,(H,33,34) |
InChIKey | InChI | 1.06 | ZWBSUQKVIPHNOV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OP(O)OCCCOc1cccc2c(OCCCO[P](O)(=O)OCCCOc3cccc4c(O)cccc34)cccc12 |
SMILES | CACTVS | 3.385 | OP(O)OCCCOc1cccc2c(OCCCO[P](O)(=O)OCCCOc3cccc4c(O)cccc34)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2OCCCOP(=O)(O)OCCCOc3cccc4c3cccc4OCCCOP(O)O)c(c1)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2OCCCOP(=O)(O)OCCCOc3cccc4c3cccc4OCCCOP(O)O)c(c1)O |