HIT ID: HIT101387787
Cas No: 905-96-4
分子式: C21H21IN2O2
分子量: 460.315
常用名: 3,3'-Diethyloxacarbocyanine iodide
常用名: 3,3'-Diethyloxacarbocyanine iodide
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.221000000000000e+000
IUPAC: 3-ethyl-2-[(1E)-3-[(2E)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide
IUPAC: 3-ethyl-2-[(1E)-3-[(2E)-3-ethyl-2,3-dihydro-1,3-benzoxazol-2-ylidene]prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide
SMILES: [I-].CCN1\C(Oc2ccccc12)=C/C=C/c1oc2ccccc2[n+]1CC
SMILES: [I-].CCN1\C(Oc2ccccc12)=C/C=C/c1oc2ccccc2[n+]1CC
InChI key: FIZZUEJIOKEFFZ-UHFFFAOYSA-M
