3,3'-DISULFOPROPYL-5,5'-DIPHENYL-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT

CAS No.
41664-70-4 ;33898-60-1
CCD No.
CCD00071200
Formula
C37 H36 N2 O8 S2 . C6 H15 N
MolWeight
802.021

Basic Information

Product Name: 3,3'-DISULFOPROPYL-5,5'-DIPHENYL-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT
CAS: 41664-70-4 ;33898-60-1
English Synonyms: 3,3'-DISULFOPROPYL-5,5'-DIPHENYL-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT ; 5-PHENYL-2-(2-[(5-PHENYL-3-(3-SULFOPROPYL)-2(3H)- BENZOXAZOLYLIDENE)METHYL]- 1-BUTENYL)-3-(3-SULFOPROPYL)- BENZOXAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT
MDL Number.: MFCD00143481
H bond acceptor: 10
H bond donor: 1
Smile: CC/C(=C\c1[n+](c2cc(ccc2o1)c3ccccc3)CCCS(=O)(=O)[O-])/C=C\4/N(c5cc(ccc5O4)c6ccccc6)CCCS(=O)(=O)O.CCN(CC)CC
InChi: InChI=1S/C37H36N2O8S2.C6H15N/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;1-4-7(5-2)6-3/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);4-6H2,1-3H3
InChiKey: InChIKey=GHMPSHNCLOMDDW-UHFFFAOYSA-N

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