N,N’-Bis[3-3-sulfonatopropyl]-N,N’-diethyl Rhodamine 4(5)-Carboxamidohexanoic Acid NHS Ester

Analyte Name

N,N'-Bis[3-3-sulfonatopropyl]-N,N'-diethyl Rhodamine 4(5)-Carboxamidohexanoic Acid NHS Ester

Molecular Formula

C41H48N4Na2O14S2

Molecular Weight

930.95

Accurate Mass

930.24

SMILES

CCN(CCCS(=O)(O[Na])=O)C1C=CC(C(C2=C3C=CC=C2C(NCCCCCC(ON4C(CCC4=O)=O)=O)=O)(OC3=O)C5=CC=C(N(CC)CCCS(=O)(O[Na])=O)C=C5O6)C6=C1.CCN(CCCS(=O)(O[Na])=O)C7C=CC(C(C8=C9C=CC(C(NCCCCCC(ON%10C(CCC%10=O)=O)=O)=O)=C8)(OC9=O)C%11=CC=C(N(CC)CCCS(=O)(O[Na])=O)C=C%11O%12)C%12=C7.CCN(CCCS(=O)(O[Na])=O)C%13C=CC(C(C%14=C%15C=C(C(NCCCCCC(ON%16C(CCC%16=O)=O)=O)=O)C=C%14)(OC%15=O)C%17=CC=C(N(CC)CCCS(=O)(O[Na])=O)C=C%17O%18)C%18=C%13.CCN(CCCS(=O)(O[Na])=O)C%19C=CC(C(C%20=C%21C(C(NCCCCCC(ON%22C(CCC%22=O)=O)=O)=O)=CC=C%20)(OC%21=O)C%23=CC=C(N(CC)CCCS(=O)(O[Na])=O)C=C%23O%24)C%24=C%19

InChI

InChI=1S/4C41H50N4O14S2.8Na/c1-3-43(21-9-23-60(51,52)53)27-14-16-30-33(25-27)57-34-26-28(44(4-2)22-10-24-61(54,55)56)15-17-31(34)41(30)32-12-8-11-29(38(32)40(50)58-41)39(49)42-20-7-5-6-13-37(48)59-45-35(46)18-19-36(45)47;1-3-43(21-9-23-60(51,52)53)27-14-16-31-33(25-27)57-34-26-28(44(4-2)22-10-24-61(54,55)56)15-17-32(34)41(31)38-29(11-8-12-30(38)40(50)58-41)39(49)42-20-7-5-6-13-37(48)59-45-35(46)18-19-36(45)47;1-3-43(20-8-22-60(51,52)53)28-12-15-32-34(25-28)57-35-26-29(44(4-2)21-9-23-61(54,55)56)13-16-33(35)41(32)31-14-11-27(24-30(31)40(50)58-41)39(49)42-19-7-5-6-10-38(48)59-45-36(46)17-18-37(45)47;1-3-43(20-8-22-60(51,52)53)28-12-15-31-34(25-28)57-35-26-29(44(4-2)21-9-23-61(54,55)56)13-16-32(35)41(31)33-24-27(11-14-30(33)40(50)58-41)39(49)42-19-7-5-6-10-38(48)59-45-36(46)17-18-37(45)47;;;;;;;;/h8,11-12,14-17,25-27,30H,3-7,9-10,13,18-24H2,1-2H3,(H,42,49)(H,51,52,53)(H,54,55,56);8,11-12,14-17,25-27,31H,3-7,9-10,13,18-24H2,1-2H3,(H,42,49)(H,51,52,53)(H,54,55,56);11-16,24-26,28,32H,3-10,17-23H2,1-2H3,(H,42,49)(H,51,52,53)(H,54,55,56);11-16,24-26,28,31H,3-10,17-23H2,1-2H3,(H,42,49)(H,51,52,53)(H,54,55,56);;;;;;;;/q;;;;8*+1/p-8

IUPAC

sodium 3,3'-((4-((6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)carbamoyl)-3-oxo-3',9a'-dihydro-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(ethylazanediyl))bis(propane-1-sulfonate) 3,3'-((5-((6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)carbamoyl)-3-oxo-3',9a'-dihydro-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(ethylazanediyl))bis(propane-1-sulfonate) 3,3'-((6-((6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)carbamoyl)-3-oxo-3',9a'-dihydro-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(ethylazanediyl))bis(propane-1-sulfonate) 3,3'-((7-((6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)carbamoyl)-3-oxo-3',9a'-dihydro-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(ethylazanediyl))bis(propane-1-sulfonate)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat