SQA
Summary
| Name: | 2-AZASQUALENE |
| Synonyms: | (4E,8E,12Z,16Z)-N,N,4,8,13,17,21-HEPTAMETHYLDOCOSA-4,8,12,16,20-PENTAEN-1-AMINE |
| Formula: | C29 H51 N |
| Formal charge: | 0 |
| Formula weight: | 413.722 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine |
| OpenEye OEToolkits | 1.5.0 | (4E,8E,12E,16E)-N,N,4,8,13,17,21-heptamethyldocosa-4,8,12,16,20-pentaen-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C(=C(/CCCN(C)C)C)\CCC(=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)/C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCC\C(C)=C\CC\C(C)=C\CC\C=C(C)\CC\C=C(C)\CCC=C(C)C |
| SMILES | CACTVS | 3.341 | CN(C)CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCCN(C)C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCCN(C)C)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C29H51N/c1-25(2)15-11-18-28(5)21-12-19-26(3)16-9-10-17-27(4)20-13-22-29(6)23-14-24-30(7)8/h15-17,21-22H,9-14,18-20,23-24H2,1-8H3/b26-16+,27-17+,28-21+,29-22+ |
| InChIKey | InChI | 1.03 | OBYAAZRQFIVRJS-GUUMBNHASA-N |
