HIT ID: HIT218832983

Cas No:

分子式: C42H52ClN2O4

分子量: 684.34

常用名: 1-(5-carboxypentyl)-2-[(1E)-2-[(3E)-3-{2-[(2E)-1-(5-carboxypentyl)-3,3-dimethylindol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl]ethenyl]-3,3-dimethylindol-1-ium, Cy7 bis-acid

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 1-(5-carboxypentyl)-2-[(1E)-2-[(3E)-3-{2-[(2E)-1-(5-carboxypentyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]ethylidene}-2-chlorocyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-3H-indol-1-ium

SMILES: CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCCC(O)=O)c4ccccc4C3(C)C)=C2Cl)N(CCCCCC(O)=O)c2ccccc12

InChI key: MUEMGQSGNZKFJI-UHFFFAOYSA-O