3,3'-DISULFOPROPYL-5,6,5',6'-DIBENZ-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT

CAS No.
92771-39-6
CCD No.
CCD00442297
Formula
C33 H32 N2 O8 S2 . C6 H15 N
MolWeight
749.945

Basic Information

Product Name: 3,3'-DISULFOPROPYL-5,6,5',6'-DIBENZ-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT
CAS: 92771-39-6
English Synonyms: 3,3'-DISULFOPROPYL-5,6,5',6'-DIBENZ-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT
MDL Number.: MFCD04038173
H bond acceptor: 10
H bond donor: 1
Smile: CC/C(=C\c1[n+](c2cc3ccccc3cc2o1)CCCS(=O)(=O)[O-])/C=C\4/N(c5cc6ccccc6cc5O4)CCCS(=O)(=O)O.CCN(CC)CC
InChi: InChI=1S/C33H32N2O8S2.C6H15N/c1-2-23(17-32-34(13-7-15-44(36,37)38)28-19-24-9-3-5-11-26(24)21-30(28)42-32)18-33-35(14-8-16-45(39,40)41)29-20-25-10-4-6-12-27(25)22-31(29)43-33;1-4-7(5-2)6-3/h3-6,9-12,17-22H,2,7-8,13-16H2,1H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3
InChiKey: InChIKey=WRVGURKARDSWNT-UHFFFAOYSA-N

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