HIT ID: HIT218847507
Cas No: 1188332-22-0
分子式: C40H52N6O6S2
分子量: 777.01
常用名: Azide cyanine dye 728
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(2-{2-[(3-azidopropyl)amino]-3-{2-[3,3-dimethyl-1-(4-sulfobutyl)-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclopent-1-en-1-yl}ethenyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
IUPAC: 2-(2-{2-[(3-azidopropyl)amino]-3-{2-[3,3-dimethyl-1-(4-sulfobutyl)-2,3-dihydro-1H-indol-2-ylidene]ethylidene}cyclopent-1-en-1-yl}ethenyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium
SMILES: CC1(C)C(=CC=C2CCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccccc4C3(C)C)=C2NCCCN=[N+]=[N-])N(CCCCS(O)(=O)=O)c2ccccc12
SMILES: CC1(C)C(=CC=C2CCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccccc4C3(C)C)=C2NCCCN=[N+]=[N-])N(CCCCS(O)(=O)=O)c2ccccc12
InChI key: XEWMTEFQJKJRAZ-UHFFFAOYSA-N
