HIT ID: HIT212655051
Cas No: 136164-66-4
分子式: C21H30O6
分子量: 378.465
常用名: E3330
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 4.522373
IUPAC: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
IUPAC: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
SMILES: CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |c:11,t:18|
SMILES: CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |c:11,t:18|
InChI key: AALSSIXXBDPENJ-FYWRMAATSA-N