4,5-BENZO-1'-ETHYL-3,3,3',3'-TETRAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANIN-5'-ACETIC ACID N-SUCCINIMIDYL ESTER

CAS No.
167638-53-1
CCD No.
CCD00263837
Formula
C41 H45 N3 O7 S
MolWeight
723.886

Basic Information

Product Name: 4,5-BENZO-1'-ETHYL-3,3,3',3'-TETRAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANIN-5'-ACETIC ACID N-SUCCINIMIDYL ESTER
CAS: 167638-53-1
English Synonyms: 4,5-BENZO-1'-ETHYL-3,3,3',3'-TETRAMETHYL-1-(4-SULFOBUTYL)INDODICARBOCYANIN-5'-ACETIC ACID N-SUCCINIMIDYL ESTER ; NIR-664-N-SUCCINIMIDYL ESTER
MDL Number.: MFCD01862927
H bond acceptor: 10
H bond donor: 0
Smile: CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc5ccccc5c4C3(C)C)CCCCS(=O)(=O)[O-])(C)C)CC(=O)ON6C(=O)CCC6=O
InChi: InChI=1S/C41H45N3O7S/c1-6-42-32-20-18-28(27-38(47)51-44-36(45)22-23-37(44)46)26-31(32)40(2,3)34(42)16-8-7-9-17-35-41(4,5)39-30-15-11-10-14-29(30)19-21-33(39)43(35)24-12-13-25-52(48,49)50/h7-11,14-21,26H,6,12-13,22-25,27H2,1-5H3
InChiKey: InChIKey=OPIIZKCLUIZXHG-UHFFFAOYSA-N

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