OT2
Summary
| Name: | 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid |
| Formula: | C20 H16 N2 O10 S3 |
| Formal charge: | 0 |
| Formula weight: | 540.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | DOHFSJYQGWYGDQ-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1cc2C=CC(=O)[C@H](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O |
