HIT ID: HIT214322823
Cas No: 181934-09-8
分子式: C45H50N2O5S
分子量: 730.96
常用名: ICG-carboxylic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{7-[3-(5-carboxypentyl)-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
IUPAC: 2-{7-[3-(5-carboxypentyl)-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
SMILES: CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCCC(O)=O)c2ccc3ccccc3c12 |w:4.4,6.6,8.8,10.10,c:11|
SMILES: CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCCC(O)=O)c2ccc3ccccc3c12 |w:4.4,6.6,8.8,10.10,c:11|
InChI key: HIBVKROMGIHYKL-UHFFFAOYSA-N
