5', 6'-DIMETHYL-5-METHOXY-3, 3', 9-TRIETHYLSELENATHIACARBOCYANINE PERCHLORATE

CAS No.
CCD No.
CCD00783513
Formula
C26 H31 N2 O S Se . Cl O4
MolWeight
598.019

Basic Information

Product Name: 5', 6'-DIMETHYL-5-METHOXY-3, 3', 9-TRIETHYLSELENATHIACARBOCYANINE PERCHLORATE
English Synonyms: 5', 6'-DIMETHYL-5-METHOXY-3, 3', 9-TRIETHYLSELENATHIACARBOCYANINE PERCHLORATE
MDL Number.: MFCD09752914
H bond acceptor: 3
H bond donor: 0
Smile: CC/C(=C\c1[n+](c2cc(ccc2[se]1)OC)CC)/C=C/3\N(c4cc(c(cc4S3)C)C)CC.[O-]Cl(=O)(=O)=O
InChi: InChI=1S/C26H31N2OSSe.ClHO4/c1-7-19(14-25-27(8-2)21-12-17(4)18(5)13-23(21)30-25)15-26-28(9-3)22-16-20(29-6)10-11-24(22)31-26;2-1(3,4)5/h10-16H,7-9H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChiKey: InChIKey=QYVWSNDDQURVHQ-UHFFFAOYSA-M

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