4-(2-((1E,3Z,5E)-3-(4-(21-((2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)-2-(3-(trimethylstannyl)benzyl)-6,9,12,15,18-pentaoxa-2-azahenicosyl)phenyl)-5-(3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate

Catalog No. : KL-2143120-152

Cas No. : 2143120-15-2

Standard English name : 4-(2-((1E,3Z,5E)-3-(4-(21-((2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)-2-(3-(trimethylstannyl)benzyl)-6,9,12,15,18-pentaoxa-2-azahenicosyl)phenyl)-5-(3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate

Molecular Formula : C₈₁H₁₀₉N₇O₁₃S₂Sn

Molecular Weight : 1,571.61

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Basic information

GHS
Smiles	O=C(C1=CC=C(N2N=C(C)C3=C2CC(C)(C)CC3=O)C=C1NCCCOCCOCCOCCOCCOCCCN(CC1=CC=CC([Sn](C)(C)C)=C1)CC1=CC=C(/C(/C=C/C2=[N+](CCCCS(=O)([O-])=O)C3=C(C=CC=C3)C2(C)C)=C\C=C2\N(CCCCS(=O)(O)=O)C3=C(C=CC=C3)C\2(C)C)C=C1)N
Inchi	InChI=1S/C78H100N7O13S2.3CH3.Sn/c1-58-74-70(54-76(2,3)55-71(74)86)85(81-58)63-33-34-64(75(79)87)67(53-63)80-37-19-41-94-43-45-96-47-49-98-50-48-97-46-44-95-42-20-38-82(56-59-21-9-8-10-22-59)57-60-27-29-61(30-28-60)62(31-35-72-77(4,5)65-23-11-13-25-68(65)83(72)39-15-17-51-99(88,89)90)32-36-73-78(6,7)66-24-12-14-26-69(66)84(73)40-16-18-52-100(91,92)93;;;;/h8-9,11-14,21-36,53H,15-20,37-52,54-57H2,1-7H3,(H4-,79,80,87,88,89,90,91,92,93);3*1H3;
InchiKey	OQATUJQHBGFLCA-UHFFFAOYSA-N
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