Chlorin e6 trisodium
HIT219574412
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HIT ID: HIT219574412
Cas No: 72984-36-2
分子式: C34H33N4Na3O6
分子量: 662.629
常用名: Chlorin e6 trisodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium (19S,20S)-14-ethenyl-9-ethyl-5,10,15,19-tetramethyl-2-[2-oxo-2-(sodiooxy)ethyl]-20-[3-oxo-3-(sodiooxy)propyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate
IUPAC: sodium (19S,20S)-14-ethenyl-9-ethyl-5,10,15,19-tetramethyl-2-[2-oxo-2-(sodiooxy)ethyl]-20-[3-oxo-3-(sodiooxy)propyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17-decaene-4-carboxylate
SMILES: CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)O[Na])[C@@H]4C)c(CC(=O)O[Na])c4[nH]c(cc1n2)c(C)c4C(=O)O[Na])c(C)c3C=C
SMILES: CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)O[Na])[C@@H]4C)c(CC(=O)O[Na])c4[nH]c(cc1n2)c(C)c4C(=O)O[Na])c(C)c3C=C
InChI key: GVBNHHULZRENLV-BTFXJMARSA-K
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