A1MBA
Summary
| Name: | Phytoene |
| Synonyms: | (6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene |
| Formula: | C40 H64 |
| Formal charge: | 0 |
| Formula weight: | 544.936 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+ |
| InChIKey | InChI | 1.06 | YVLPJIGOMTXXLP-JPWSVPCBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCCC(/C)=C/CC/C(C)=C/CC\C(C)=C/C=C\C=C(C)\CC/C=C(C)/CC/C=C(C)/CCC=C(C)C |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C |
