HIT ID: HIT214314771
Cas No: 3599-32-4
分子式: C43H48N2NaO6S2
分子量: 775.97
常用名: Indocyanine green
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{7-[1,1-dimethyl-3-(4-sulfobutyl)-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 sodium
IUPAC: 2-{7-[1,1-dimethyl-3-(4-sulfobutyl)-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 sodium
SMILES: [Na].CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |w:11.10,9.8,7.6,5.4,c:11|jcExt:v:0:0
SMILES: [Na].CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |w:11.10,9.8,7.6,5.4,c:11|jcExt:v:0:0
InChI key: AANGVCDSLQANGQ-UHFFFAOYSA-N
