Synonyms
1039775-34-2;Dicyclohexyl-{2-sulfo-9-[3-(4-sulfo-phenyl)propyl]-9-fluorenyl}phosphonium-hydrogensulfate;ACMC-20ala5;SCHEMBL19900248;CTK8C5681;DTXSID30647780;TC-167252;Dicyclohexyl{2-sulfo-9-[3-(4-sulfophenyl)propyl]-9H-fluoren-9-yl}phosphanium hydrogen sulfate;
IUPAC Name
dicyclohexyl-[2-sulfo-9-[3-(4-sulfophenyl)propyl]fluoren-9-yl]phosphanium;hydrogen sulfate;
Molecular Weight
738.862g/mol
Molecular Formula
C34H43O10PS3;
Canonical SMILES
C1CCC(CC1)[PH+](C2CCCCC2)C3(C4=CC=CC=C4C5=C3C=C(C=C5)S(=O)(=O)O)CCCC6=CC=C(C=C6)S(=O)(=O)O.OS(=O)(=O)[O-];
InChI
InChI=1S/C34H41O6PS2.H?O4S/c35-42(36,37)28-19-17-25(18-20-28)10-9-23-34(41(26-11-3-1-4-12-26)27-13-5-2-6-14-27)32-16-8-7-15-30(32)31-22-21-29(24-33(31)34)43(38,39)40;1-5(2,3)4/h7-8,15-22,24,26-27H,1-6,9-14,23H2,(H,35,36,37)(H,38,39,40);(H2,1,2,3,4);
InChI Key
HNJNDGZFLWQSEG-UHFFFAOYSA-N;
Complexity
1190
Covalently-Bonded Unit Count
2
Exact Mass
738.176g/mol
H-Bond Acceptor
10
H-Bond Donor
3
Heavy Atom Count
48
Monoisotopic Mass
738.176g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
211A^2
Undefined Atom Stereocenter Count
1
