ATRA-BA Hybrid
HIT214320702
sdf文件结构编辑类似物检索
HIT ID: HIT214320702
Cas No: 1037543-26-2
分子式: C31H40O4
分子量: 476.657
常用名: ATRA-BA Hybrid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[(butanoyloxy)methyl]phenyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
IUPAC: 4-[(butanoyloxy)methyl]phenyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
SMILES: CCCC(=O)OCc1ccc(OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1 |c:24|
SMILES: CCCC(=O)OCc1ccc(OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1 |c:24|
InChI key: GDELUZOQMHQHNF-PFLGVXPYSA-N
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