potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate

C250H261KN14O40S24 — CID 160769388

IUPACpotassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc3cc(N(CC)CCSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc3cc(N(CC)CSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc2c1.CCN(CSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc2c1.[K+]
InChIInChI=1S/C47H55N3O6S4.C45H51N3O6S4.2C41H42N2O7S4.C39H38N2O7S4.C37H34N2O7S4.K/c1-5-9-16-35(6-2)34-48-59(51,52)40-23-26-43(46(33-40)60(53,54)55)47-41-24-21-36(49(7-3)27-29-57-38-17-12-10-13-18-38)31-44(41)56-45-32-37(22-25-42(45)47)50(8-4)28-30-58-39-19-14-11-15-20-39;1-5-9-16-33(6-2)30-46-57(49,50)38-23-26-41(44(29-38)58(51,52)53)45-39-24-21-34(47(7-3)31-55-36-17-12-10-13-18-36)27-42(39)54-43-28-35(22-25-40(43)45)48(8-4)32-56-37-19-14-11-15-20-37;2*1-3-42(23-11-25-51-32-13-7-5-8-14-32)30-17-20-35-38(27-30)50-39-28-31(43(4-2)24-12-26-52-33-15-9-6-10-16-33)18-21-36(39)41(35)37-22-19-34(53(44,45)46)29-40(37)54(47,48)49;1-3-40(21-23-49-30-11-7-5-8-12-30)28-15-18-33-36(25-28)48-37-26-29(41(4-2)22-24-50-31-13-9-6-10-14-31)16-19-34(37)39(33)35-20-17-32(51(42,43)44)27-38(35)52(45,46)47;1-3-38(24-47-28-11-7-5-8-12-28)26-15-18-31-34(21-26)46-35-22-27(39(4-2)25-48-29-13-9-6-10-14-29)16-19-32(35)37(31)33-20-17-30(49(40,41)42)23-36(33)50(43,44)45;/h10-15,17-26,31-33,35,48H,5-9,16,27-30,34H2,1-4H3;10-15,17-29,33,46H,5-9,16,30-32H2,1-4H3;2*5-10,13-22,27-29H,3-4,11-12,23-26H2,1-2H3,(H-,44,45,46,47,48,49);5-20,25-27H,3-4,21-24H2,1-2H3,(H-,42,43,44,45,46,47);5-23H,3-4,24-25H2,1-2H3,(H-,40,41,42,43,44,45);/q;;;;;;+1/p-1
InChIKeyRZCOCVBZFNWPPS-UHFFFAOYSA-M
MW4910.60 g/mol
LogP47.90
Rot. Bonds98

About potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate

potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate (PubChem CID 160769388) has the molecular formula C250H261KN14O40S24 and a molecular weight of 4910.60 g/mol. Its IUPAC name is potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate.

Molecular Properties

Compound Namepotassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate
PubChem CID160769388
Molecular FormulaC250H261KN14O40S24
Molecular Weight4910.60 g/mol
Exact Mass4905.18
IUPAC Namepotassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc3cc(N(CC)CCSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc3cc(N(CC)CSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc2c1.CCN(CSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc2c1.[K+]
InChIInChI=1S/C47H55N3O6S4.C45H51N3O6S4.2C41H42N2O7S4.C39H38N2O7S4.C37H34N2O7S4.K/c1-5-9-16-35(6-2)34-48-59(51,52)40-23-26-43(46(33-40)60(53,54)55)47-41-24-21-36(49(7-3)27-29-57-38-17-12-10-13-18-38)31-44(41)56-45-32-37(22-25-42(45)47)50(8-4)28-30-58-39-19-14-11-15-20-39;1-5-9-16-33(6-2)30-46-57(49,50)38-23-26-41(44(29-38)58(51,52)53)45-39-24-21-34(47(7-3)31-55-36-17-12-10-13-18-36)27-42(39)54-43-28-35(22-25-40(43)45)48(8-4)32-56-37-19-14-11-15-20-37;2*1-3-42(23-11-25-51-32-13-7-5-8-14-32)30-17-20-35-38(27-30)50-39-28-31(43(4-2)24-12-26-52-33-15-9-6-10-16-33)18-21-36(39)41(35)37-22-19-34(53(44,45)46)29-40(37)54(47,48)49;1-3-40(21-23-49-30-11-7-5-8-12-30)28-15-18-33-36(25-28)48-37-26-29(41(4-2)22-24-50-31-13-9-6-10-14-31)16-19-34(37)39(33)35-20-17-32(51(42,43)44)27-38(35)52(45,46)47;1-3-38(24-47-28-11-7-5-8-12-28)26-15-18-31-34(21-26)46-35-22-27(39(4-2)25-48-29-13-9-6-10-14-29)16-19-32(35)37(31)33-20-17-30(49(40,41)42)23-36(33)50(43,44)45;/h10-15,17-26,31-33,35,48H,5-9,16,27-30,34H2,1-4H3;10-15,17-29,33,46H,5-9,16,30-32H2,1-4H3;2*5-10,13-22,27-29H,3-4,11-12,23-26H2,1-2H3,(H-,44,45,46,47,48,49);5-20,25-27H,3-4,21-24H2,1-2H3,(H-,42,43,44,45,46,47);5-23H,3-4,24-25H2,1-2H3,(H-,40,41,42,43,44,45);/q;;;;;;+1/p-1
InChIKeyRZCOCVBZFNWPPS-UHFFFAOYSA-M
XLogP47.90
TPSA772.19 Ų
H-Bond Donors5
H-Bond Acceptors55
Rotatable Bonds98
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004910.60
LogP ≤ 547.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1055

Analyze potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate with MolForge

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Launch Full Analysis

Related Compounds

trisodium;2-[3-[2-aminoethyl(3-phenylsulfanylpropyl)amino]-6-[2-aminoethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;4-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;4-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-3-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate
CID 163814099
2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzenesulfonate
CID 154627238
[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-ethyl-(2-phenylsulfanylethyl)azanium;[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[ethyl(2-phenylsulfanylethyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium;[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-phenylsulfanylethyl(propyl)amino]xanthen-3-ylidene]-(2-phenylsulfanylethyl)-propylazanium
CID 157052237
[9-(2,4-disulfophenyl)-6-[ethyl-[2-(methanesulfonamido)ethyl]amino]xanthen-3-ylidene]-ethyl-[2-(methanesulfonamido)ethyl]azanium
CID 87584363
4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate;hydron
CID 154730799
[9-[2-(2-ethylhexylsulfamoyl)phenyl]-6-[2-methyl-N-(2-phenylsulfanylethyl)anilino]xanthen-3-ylidene]-(2-methylphenyl)-(2-phenylsulfanylethyl)azanium
CID 154627139
[9-[2-[diethyl(nitrosooxy)-λ4-sulfanyl]phenyl]-6-[ethyl(phenylsulfanylmethyl)amino]xanthen-3-ylidene]-ethyl-(phenylsulfanylmethyl)azanium
CID 157278559
2-[3-[butyl(2-hydroxyethyl)amino]-6-[butyl(2-hydroxyethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate
CID 140926838
5-[3-[4-(3-aminopropylamino)butylamino]propylsulfamoyl]-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate
CID 45272112
[9-[4-(6-aminohexylsulfamoyl)-2-sulfophenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
CID 21299341
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[6-(2-ethenylsulfonylethylamino)-6-oxohexyl]sulfamoyl]benzenesulfonate
CID 54591344
ethyl-[6-[ethyl-[2-(phenylcarbamoyloxy)ethyl]amino]-9-(2-sulfophenyl)xanthen-3-ylidene]-[2-(phenylcarbamoyloxy)ethyl]azanium
CID 130374732

Frequently Asked Questions

What is the IUPAC name of potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate?
The IUPAC name of potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate (CID 160769388) is potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate.
What is the SMILES notation for potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate?
The canonical SMILES for potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate is CCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc3cc(N(CC)CCSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCCCC(CC)CNS(=O)(=O)c1ccc(-c2c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc3cc(N(CC)CSc4ccccc4)ccc23)c(S(=O)(=O)[O-])c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCCSc4ccccc4)cc-3oc2c1.CCN(CCSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](/CC)CCSc4ccccc4)cc-3oc2c1.CCN(CSc1ccccc1)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)[O-])c3cc/c(=[N+](\CC)CSc4ccccc4)cc-3oc2c1.[K+].
What is the InChIKey of potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate?
The InChIKey is RZCOCVBZFNWPPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C47H55N3O6S4.C45H51N3O6S4.2C41H42N2O7S4.C39H38N2O7S4.C37H34N2O7S4.K/c1-5-9-16-35(6-2)34-48-59(51,52)40-23-26-43(46(33-40)60(53,54)55)47-41-24-21-36(49(7-3)27-29-57-38-17-12-10-13-18-38)31-44(41)56-45-32-37(22-25-42(45)47)50(8-4)28-30-58-39-19-14-11-15-20-39;1-5-9-16-33(6-2)30-46-57(49,50)38-23-26-41(44(29-38)58(51,52)53)45-39-24-21-34(47(7-3)31-55-36-17-12-10-13-18-36)27-42(39)54-43-28-35(22-25-40(43)45)48(8-4)32-56-37-19-14-11-15-20-37;2*1-3-42(23-11-25-51-32-13-7-5-8-14-32)30-17-20-35-38(27-30)50-39-28-31(43(4-2)24-12-26-52-33-15-9-6-10-16-33)18-21-36(39)41(35)37-22-19-34(53(44,45)46)29-40(37)54(47,48)49;1-3-40(21-23-49-30-11-7-5-8-12-30)28-15-18-33-36(25-28)48-37-26-29(41(4-2)22-24-50-31-13-9-6-10-14-31)16-19-34(37)39(33)35-20-17-32(51(42,43)44)27-38(35)52(45,46)47;1-3-38(24-47-28-11-7-5-8-12-28)26-15-18-31-34(21-26)46-35-22-27(39(4-2)25-48-29-13-9-6-10-14-29)16-19-32(35)37(31)33-20-17-30(49(40,41)42)23-36(33)50(43,44)45;/h10-15,17-26,31-33,35,48H,5-9,16,27-30,34H2,1-4H3;10-15,17-29,33,46H,5-9,16,30-32H2,1-4H3;2*5-10,13-22,27-29H,3-4,11-12,23-26H2,1-2H3,(H-,44,45,46,47,48,49);5-20,25-27H,3-4,21-24H2,1-2H3,(H-,42,43,44,45,46,47);5-23H,3-4,24-25H2,1-2H3,(H-,40,41,42,43,44,45);/q;;;;;;+1/p-1.
What are the key properties of potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate?
potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate has a molecular weight of 4910.60 g/mol, XLogP of 47.90, 98 rotatable bonds, 5 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(2-ethylhexylsulfamoyl)-2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;5-(2-ethylhexylsulfamoyl)-2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]benzenesulfonate;2-[3-[ethyl(2-phenylsulfanylethyl)amino]-6-[ethyl(2-phenylsulfanylethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;2-[(6Z)-3-[ethyl(phenylsulfanylmethyl)amino]-6-[ethyl(phenylsulfanylmethyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate;4-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]benzene-1,3-disulfonate;2-[3-[ethyl(3-phenylsulfanylpropyl)amino]-6-[ethyl(3-phenylsulfanylpropyl)azaniumylidene]xanthen-9-yl]-5-sulfobenzenesulfonate is sourced from PubChem (CID 160769388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).