8EA
Summary
| Name: | N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine |
| Formula: | C19 H32 Cl N S2 |
| Formal charge: | 0 |
| Formula weight: | 374.047 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-[(4-chlorophenyl)methyldisulfanyl]ethyl]decan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCCCCCC)CNCCSSCc1ccc(cc1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C19H32ClNS2/c1-2-3-4-5-6-7-8-9-14-21-15-16-22-23-17-18-10-12-19(20)13-11-18/h10-13,21H,2-9,14-17H2,1H3 |
| InChIKey | InChI | 1.03 | MTCITSZEZJBERN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCNCCSSCc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCNCCSSCc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCNCCSSCc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCNCCSSCc1ccc(cc1)Cl |
