3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

C106H66F6O51S13 — CID 159042131

IUPAC3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
SMILESO=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(C(c2ccc(O)c(C(=O)c3cc(S(=O)(=O)O)c4ccc(SOOO)cc4c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C(=O)c1cc(S(=O)(=O)O)c2ccc(SOOO)cc2c1.O=C(c1ccc(O)c(C(=O)c2cc(SOOO)c3ccc(S(=O)(=O)O)cc3c2)c1)c1ccc(O)c(C(=O)c2cc(S(=O)(=O)O)c3ccc(SOOO)cc3c2)c1
InChIInChI=1S/C37H22F6O16S4.C35H22O17S4.C34H22O18S5/c38-36(39,40)35(37(41,42)43,21-1-7-29(44)27(15-21)33(46)19-10-18-12-24(62(50,51)52)4-6-25(18)31(13-19)61-59-57-49)22-2-8-30(45)28(16-22)34(47)20-9-17-11-23(60-58-56-48)3-5-26(17)32(14-20)63(53,54)55;36-29-7-1-17(13-27(29)34(39)21-10-20-12-24(55(43,44)45)4-6-25(20)31(15-21)54-52-50-42)33(38)18-2-8-30(37)28(14-18)35(40)22-9-19-11-23(53-51-49-41)3-5-26(19)32(16-22)56(46,47)48;35-21-1-7-30(27(15-21)33(37)19-10-18-12-24(56(43,44)45)4-6-25(18)29(13-19)54-52-50-40)55(41,42)31-8-2-22(36)16-28(31)34(38)20-9-17-11-23(53-51-49-39)3-5-26(17)32(14-20)57(46,47)48/h1-16,44-45,48-49H,(H,50,51,52)(H,53,54,55);1-16,36-37,41-42H,(H,43,44,45)(H,46,47,48);1-16,35-36,39-40H,(H,43,44,45)(H,46,47,48)
InChIKeyJWEROPSTOOMIID-UHFFFAOYSA-N
MW2686.50 g/mol
LogP21.12
Rot. Bonds42

About 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid (PubChem CID 159042131) has the molecular formula C106H66F6O51S13 and a molecular weight of 2686.50 g/mol. Its IUPAC name is 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
PubChem CID159042131
Molecular FormulaC106H66F6O51S13
Molecular Weight2686.50 g/mol
Exact Mass2683.88
IUPAC Name3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
SMILESO=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(C(c2ccc(O)c(C(=O)c3cc(S(=O)(=O)O)c4ccc(SOOO)cc4c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C(=O)c1cc(S(=O)(=O)O)c2ccc(SOOO)cc2c1.O=C(c1ccc(O)c(C(=O)c2cc(SOOO)c3ccc(S(=O)(=O)O)cc3c2)c1)c1ccc(O)c(C(=O)c2cc(S(=O)(=O)O)c3ccc(SOOO)cc3c2)c1
InChIInChI=1S/C37H22F6O16S4.C35H22O17S4.C34H22O18S5/c38-36(39,40)35(37(41,42)43,21-1-7-29(44)27(15-21)33(46)19-10-18-12-24(62(50,51)52)4-6-25(18)31(13-19)61-59-57-49)22-2-8-30(45)28(16-22)34(47)20-9-17-11-23(60-58-56-48)3-5-26(17)32(14-20)63(53,54)55;36-29-7-1-17(13-27(29)34(39)21-10-20-12-24(55(43,44)45)4-6-25(20)31(15-21)54-52-50-42)33(38)18-2-8-30(37)28(14-18)35(40)22-9-19-11-23(53-51-49-41)3-5-26(19)32(16-22)56(46,47)48;35-21-1-7-30(27(15-21)33(37)19-10-18-12-24(56(43,44)45)4-6-25(18)29(13-19)54-52-50-40)55(41,42)31-8-2-22(36)16-28(31)34(38)20-9-17-11-23(53-51-49-39)3-5-26(17)32(14-20)57(46,47)48/h1-16,44-45,48-49H,(H,50,51,52)(H,53,54,55);1-16,36-37,41-42H,(H,43,44,45)(H,46,47,48);1-16,35-36,39-40H,(H,43,44,45)(H,46,47,48)
InChIKeyJWEROPSTOOMIID-UHFFFAOYSA-N
XLogP21.12
TPSA833.37 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.50
LogP ≤ 521.12
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[1,1,1,3,3,3-Hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58711263
3-[5-[2-[3-(4,7-Disulfonaphthalene-2-carbonyl)-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxybenzoyl]naphthalene-1,6-disulfonic acid
CID 89107596
[[6-(4-Hydroxybenzoyl)naphthalen-2-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760357
5,7-Bis(fluorosulfonyl)naphthalene-2-carboxylic acid;6-hydroxynaphthalene-1,3-disulfonyl fluoride;4-methylsulfonylbenzoic acid;bis(6-methylsulfonylnaphthalene-2-carboxylic acid);4-methylsulfonylphenol;3-methylsulfonyl-5-(trifluoromethylsulfonyl)benzoic acid;3-methylsulfonyl-5-(trifluoromethylsulfonyl)phenol
CID 157458787
Bis(3-methylphenyl)methanone;bis(4-methylphenyl)methanone;1,2-dimethyl-4-(4-methylphenoxy)benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(2-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-2-(2-methylphenyl)sulfonylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157710345
3-[5-[1,1,1,3,3,3-Hexafluoro-2-[4-hydroxy-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]benzenesulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[3-(trioxidanylsulfanyl)benzoyl]benzoyl]benzoyl]benzenesulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[3-(trioxidanylsulfanyl)benzoyl]phenyl]sulfonylbenzoyl]benzenesulfonic acid
CID 159147708
3-[4-[Dimethyl-(4-methyl-3-oxopent-4-enoyl)-lambda4-sulfanyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-[5-[4-(hydroxymethyl)-3-oxopent-4-enoyl]naphthalen-1-yl]oxysulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxopent-4-enoyl)phenoxy]sulfonylpropane-1-sulfonic acid
CID 159785767
Bis(4-hydroxyphenyl)methanone;bis(4-methylphenyl)methanone;2-cyclohexa-1,5-dien-1-yl-4-(4-hydroxy-3-phenylphenyl)phenol;4-[dihydroxy-(4-hydroxy-3,5-dimethylphenyl)-lambda4-sulfanyl]-2,6-dimethylphenol;2,6-dimethylbenzonitrile;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfonylphenol;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone;1-methyl-4-(4-methylphenyl)sulfonylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
CID 161532985
1-(4-Cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;dimethyl-(4-methylnaphthalen-1-yl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
CID 161848227
[6-(4-Hydroxybenzoyl)naphthalen-2-yl]-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 175782269
3-[2-Hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58711233
3-[5-Hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58711234

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid?
The IUPAC name of 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid (CID 159042131) is 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid.
What is the SMILES notation for 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid?
The canonical SMILES for 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid is O=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(C(c2ccc(O)c(C(=O)c3cc(S(=O)(=O)O)c4ccc(SOOO)cc4c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O.O=C(c1cc(SOOO)c2ccc(S(=O)(=O)O)cc2c1)c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1C(=O)c1cc(S(=O)(=O)O)c2ccc(SOOO)cc2c1.O=C(c1ccc(O)c(C(=O)c2cc(SOOO)c3ccc(S(=O)(=O)O)cc3c2)c1)c1ccc(O)c(C(=O)c2cc(S(=O)(=O)O)c3ccc(SOOO)cc3c2)c1.
What is the InChIKey of 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid?
The InChIKey is JWEROPSTOOMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6O16S4.C35H22O17S4.C34H22O18S5/c38-36(39,40)35(37(41,42)43,21-1-7-29(44)27(15-21)33(46)19-10-18-12-24(62(50,51)52)4-6-25(18)31(13-19)61-59-57-49)22-2-8-30(45)28(16-22)34(47)20-9-17-11-23(60-58-56-48)3-5-26(17)32(14-20)63(53,54)55;36-29-7-1-17(13-27(29)34(39)21-10-20-12-24(55(43,44)45)4-6-25(20)31(15-21)54-52-50-42)33(38)18-2-8-30(37)28(14-18)35(40)22-9-19-11-23(53-51-49-41)3-5-26(19)32(16-22)56(46,47)48;35-21-1-7-30(27(15-21)33(37)19-10-18-12-24(56(43,44)45)4-6-25(18)29(13-19)54-52-50-40)55(41,42)31-8-2-22(36)16-28(31)34(38)20-9-17-11-23(53-51-49-39)3-5-26(17)32(14-20)57(46,47)48/h1-16,44-45,48-49H,(H,50,51,52)(H,53,54,55);1-16,36-37,41-42H,(H,43,44,45)(H,46,47,48);1-16,35-36,39-40H,(H,43,44,45)(H,46,47,48).
What are the key properties of 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid?
3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid has a molecular weight of 2686.50 g/mol, XLogP of 21.12, 42 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[2-hydroxy-5-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]benzoyl]benzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid;3-[5-hydroxy-2-[4-hydroxy-2-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]sulfonylbenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid is sourced from PubChem (CID 159042131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).