anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride

C216H253ClF11O26PS11 — CID 161211907

IUPACanthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride
SMILESC.CC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)O.CCOc1ccc(Cc2ccc(C)cc2)cc1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.Cc1cc(C)c(S(=O)(=O)O)c(C)c1.Cc1ccccc1.F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(O)c1cccc2cc3ccccc3cc12.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/2C19H16S.C17H18O.C16H14O5S.C16H18O.C14H10O3S.2C13H12S.2C13H28.C11H14O.C9H11Cl.C9H12O3S.C8H18O3S.C7H8.C6HF5O3S.2C6H6O3S.CH4.F5P.FH/c2*1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)20-18-9-5-2-6-10-18;18-17(11-13-5-1-2-6-13)16-10-9-14-7-3-4-8-15(14)12-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-17-16-10-8-15(9-11-16)12-14-6-4-13(2)5-7-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(7-10)9-5-3-2-4-6-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2*7-10(8,9)6-4-2-1-3-5-6;;1-6(2,3,4)5;/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9H,(H,15,16,17);2*1-9,14H,10H2;2*3-13H2,1-2H3;3-7,9H,8H2,1-2H3;2-6,8H,7H2,1H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);2-6H,1H3;(H,12,13,14);2*1-5H,(H,7,8,9);1H4;;1H
InChIKeyUWIQQWAIQQXFCI-UHFFFAOYSA-N
MW3893.52 g/mol
LogP62.99
Rot. Bonds59

About anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride

anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride (PubChem CID 161211907) has the molecular formula C216H253ClF11O26PS11 and a molecular weight of 3893.52 g/mol. Its IUPAC name is anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride.

Molecular Properties

Compound Nameanthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride
PubChem CID161211907
Molecular FormulaC216H253ClF11O26PS11
Molecular Weight3893.52 g/mol
Exact Mass3889.47
IUPAC Nameanthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride
SMILESC.CC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)O.CCOc1ccc(Cc2ccc(C)cc2)cc1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.Cc1cc(C)c(S(=O)(=O)O)c(C)c1.Cc1ccccc1.F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(O)c1cccc2cc3ccccc3cc12.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/2C19H16S.C17H18O.C16H14O5S.C16H18O.C14H10O3S.2C13H12S.2C13H28.C11H14O.C9H11Cl.C9H12O3S.C8H18O3S.C7H8.C6HF5O3S.2C6H6O3S.CH4.F5P.FH/c2*1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)20-18-9-5-2-6-10-18;18-17(11-13-5-1-2-6-13)16-10-9-14-7-3-4-8-15(14)12-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-17-16-10-8-15(9-11-16)12-14-6-4-13(2)5-7-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(7-10)9-5-3-2-4-6-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2*7-10(8,9)6-4-2-1-3-5-6;;1-6(2,3,4)5;/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9H,(H,15,16,17);2*1-9,14H,10H2;2*3-13H2,1-2H3;3-7,9H,8H2,1-2H3;2-6,8H,7H2,1H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);2-6H,1H3;(H,12,13,14);2*1-5H,(H,7,8,9);1H4;;1H
InChIKeyUWIQQWAIQQXFCI-UHFFFAOYSA-N
XLogP62.99
TPSA442.42 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds59
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003893.52
LogP ≤ 562.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride with MolForge

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Related Compounds

Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;fluoroform;octane-1-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 157172981
Benzenesulfonate;bis(4-benzylbenzenethiol);1-benzyl-4-butoxybenzene;bis(1-benzyl-4-phenylsulfanylbenzene);butyl 2-oxidoperoxysulfanylbenzoate;1-chloropropan-2-ylbenzene;2-cyclohexyl-1-phenylethanone;2-cyclopentyl-1-naphthalen-2-ylethanone;bis(2-cyclopentyl-1-phenylethanone);9,10-dimethoxyanthracene-2-sulfonate;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;4-ethyl-2,6-dimethylbenzenesulfonate;fluoroform;3-methyl-1-phenylbutan-1-one;octane-1-sulfonate;1-oxidoperoxysulfanylanthracene;bis(2,3,4,5,6-pentafluorobenzenesulfonate);tris(pentafluoro-lambda5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite
CID 157181140
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;octane-1-sulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);tridecane;trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 158992345
2-(Benzenesulfonyl)-1,4-dimethylbenzene;[4-[4-[difluoro-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[difluoro-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methyl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1,4-dimethyl-2-(4-phenoxyphenyl)sulfonylbenzene;(2,5-dimethylphenyl)-(4-naphthalen-1-yloxyphenyl)methanone;(2,5-dimethylphenyl)-(4-naphthalen-2-yloxyphenyl)methanone;(2,5-dimethylphenyl)-[4-(4-phenoxyphenoxy)phenyl]methanone;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;(2,5-dimethylphenyl)-phenylmethanone;(2,5-dimethylphenyl)-[4-(4-phenylphenoxy)phenyl]methanone;(2,5-dimethylphenyl)-(4-phenylphenyl)methanone;1,4-dimethyl-2-(4-phenylphenyl)sulfonylbenzene
CID 159947826
9,10-Diethoxy-2-oxidoperoxysulfanylanthracene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-oxidoperoxysulfanylanthracene-9,10-dione;bis(trifluoromethanesulfonate);tris(triphenylsulfanium)
CID 161316464
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;methane;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;octane-1-sulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);bis(tridecane);trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 161774073
Benzenesulfonate;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;fluoroform;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;octane-1-sulfonate;pentafluoro-lambda5-phosphane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);bis(tridecane);trifluoromethanesulfonate;2,4,6-trimethylbenzenesulfonate;fluoride;sulfite
CID 161777536
CID 157308234
CID 157308234
4-[2-(6-Butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium
CID 158281317
Benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);2-cyclohexyl-1-phenylethanone;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;bis(pentafluoro-lambda5-phosphane);toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;dihydrofluoride
CID 158742339
3-(6-Butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)
CID 158775830
Chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;1-oxidoperoxysulfanylanthracene;bis(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,4,6-trimethylbenzenesulfonate
CID 159150719

Frequently Asked Questions

What is the IUPAC name of anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride?
The IUPAC name of anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride (CID 161211907) is anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride.
What is the SMILES notation for anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride?
The canonical SMILES for anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride is C.CC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)O.CCOc1ccc(Cc2ccc(C)cc2)cc1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.Cc1cc(C)c(S(=O)(=O)O)c(C)c1.Cc1ccccc1.F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(O)c1cccc2cc3ccccc3cc12.O=S(=O)(O)c1ccccc1.O=S(=O)(O)c1ccccc1.Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.
What is the InChIKey of anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride?
The InChIKey is UWIQQWAIQQXFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16S.C17H18O.C16H14O5S.C16H18O.C14H10O3S.2C13H12S.2C13H28.C11H14O.C9H11Cl.C9H12O3S.C8H18O3S.C7H8.C6HF5O3S.2C6H6O3S.CH4.F5P.FH/c2*1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)20-18-9-5-2-6-10-18;18-17(11-13-5-1-2-6-13)16-10-9-14-7-3-4-8-15(14)12-16;1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;1-3-17-16-10-8-15(9-11-16)12-14-6-4-13(2)5-7-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(7-10)9-5-3-2-4-6-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;2*7-10(8,9)6-4-2-1-3-5-6;;1-6(2,3,4)5;/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9H,(H,15,16,17);2*1-9,14H,10H2;2*3-13H2,1-2H3;3-7,9H,8H2,1-2H3;2-6,8H,7H2,1H3;4-5H,1-3H3,(H,10,11,12);2-8H2,1H3,(H,9,10,11);2-6H,1H3;(H,12,13,14);2*1-5H,(H,7,8,9);1H4;;1H.
What are the key properties of anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride?
anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride has a molecular weight of 3893.52 g/mol, XLogP of 62.99, 59 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-1-sulfonic acid;benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);1-chloropropan-2-ylbenzene;2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;2,3,4,5,6-pentafluorobenzenesulfonic acid;pentafluoro-λ5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride is sourced from PubChem (CID 161211907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).