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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite

C292H327ClF34O44P3S15-15 — CID 157181140

IUPACbenzenesulfonate;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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite
SMILESCC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].CCCCOC(=O)c1ccccc1SOO[O-].CCCCOc1ccc(Cc2ccccc2)cc1.CCOc1ccc(Cc2ccc(C)cc2)cc1.CCc1cc(C)c(S(=O)(=O)[O-])c(C)c1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.Cc1ccccc1.FC(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.[F-].[F-].[F-].[O-]OOSc1cccc2cc3ccccc3cc12.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/2C19H16S.C17H18O.C17H20O.C16H14O5S.C16H18O.C14H10O3S.C14H18O.2C13H16O.2C13H12S.2C13H28.C11H14O5S.C11H14O.C10H14O3S.C9H11Cl.C8H18O3S.C7H8.2C6HF5O3S.2C6H6O3S.CHF3O3S.CHF3.3F5P.3FH.H2O3S/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;1-2-3-13-18-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15;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;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;2*14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;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;1-2-3-8-14-11(12)9-6-4-5-7-10(9)17-16-15-13;1-9(2)8-11(12)10-6-4-3-5-7-10;1-4-9-5-7(2)10(8(3)6-9)14(11,12)13;1-8(7-10)9-5-3-2-4-6-9;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;2*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;2-1(3,4)8(5,6)7;2-1(3)4;3*1-6(2,3,4)5;;;;1-4(2)3/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;4-12H,2-3,13-14H2,1H3;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9,15H;2,5-6,9-10,12H,1,3-4,7-8,11H2;2*1-3,8-9,11H,4-7,10H2;2*1-9,14H,10H2;2*3-13H2,1-2H3;4-7,13H,2-3,8H2,1H3;3-7,9H,8H2,1-2H3;5-6H,4H2,1-3H3,(H,11,12,13);2-6,8H,7H2,1H3;2-8H2,1H3,(H,9,10,11);2-6H,1H3;2*(H,12,13,14);2*1-5H,(H,7,8,9);(H,5,6,7);1H;;;;3*1H;(H2,1,2,3)/p-15
InChIKeyIZUYJNXFCWYABF-UHFFFAOYSA-A
MW5796.10 g/mol
LogP75.90
Rot. Bonds85

About 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite

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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite (PubChem CID 157181140) has the molecular formula C292H327ClF34O44P3S15-15 and a molecular weight of 5796.10 g/mol. Its IUPAC name is 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite.

Molecular Properties

Compound Namebenzenesulfonate;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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite
PubChem CID157181140
Molecular FormulaC292H327ClF34O44P3S15-15
Molecular Weight5796.10 g/mol
Exact Mass5790.76
IUPAC Namebenzenesulfonate;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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite
SMILESCC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].CCCCOC(=O)c1ccccc1SOO[O-].CCCCOc1ccc(Cc2ccccc2)cc1.CCOc1ccc(Cc2ccc(C)cc2)cc1.CCc1cc(C)c(S(=O)(=O)[O-])c(C)c1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.Cc1ccccc1.FC(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.[F-].[F-].[F-].[O-]OOSc1cccc2cc3ccccc3cc12.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/2C19H16S.C17H18O.C17H20O.C16H14O5S.C16H18O.C14H10O3S.C14H18O.2C13H16O.2C13H12S.2C13H28.C11H14O5S.C11H14O.C10H14O3S.C9H11Cl.C8H18O3S.C7H8.2C6HF5O3S.2C6H6O3S.CHF3O3S.CHF3.3F5P.3FH.H2O3S/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;1-2-3-13-18-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15;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;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;2*14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;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;1-2-3-8-14-11(12)9-6-4-5-7-10(9)17-16-15-13;1-9(2)8-11(12)10-6-4-3-5-7-10;1-4-9-5-7(2)10(8(3)6-9)14(11,12)13;1-8(7-10)9-5-3-2-4-6-9;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;2*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;2-1(3,4)8(5,6)7;2-1(3)4;3*1-6(2,3,4)5;;;;1-4(2)3/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;4-12H,2-3,13-14H2,1H3;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9,15H;2,5-6,9-10,12H,1,3-4,7-8,11H2;2*1-3,8-9,11H,4-7,10H2;2*1-9,14H,10H2;2*3-13H2,1-2H3;4-7,13H,2-3,8H2,1H3;3-7,9H,8H2,1-2H3;5-6H,4H2,1-3H3,(H,11,12,13);2-6,8H,7H2,1H3;2-8H2,1H3,(H,9,10,11);2-6H,1H3;2*(H,12,13,14);2*1-5H,(H,7,8,9);(H,5,6,7);1H;;;;3*1H;(H2,1,2,3)/p-15
InChIKeyIZUYJNXFCWYABF-UHFFFAOYSA-A
XLogP75.90
TPSA752.40 Ų
H-Bond Donors2
H-Bond Acceptors50
Rotatable Bonds85
Heavy Atoms389
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005796.10
LogP ≤ 575.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1050

Analyze 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite 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
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;[difluoro-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate);2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenoxy]benzenesulfonate;bis(2,4,6-tricyclohexylbenzenesulfonate);tris(triphenylsulfanium);2,4,6-tri(propan-2-yl)benzenesulfonate;tris(tris(4-fluorophenyl)sulfanium);tris(3-methoxyphenyl)sulfanium
CID 157897705
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
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
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
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
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;methane;3-methyl-1-phenylbutan-1-one;octane-1-sulfonic acid;bis(pentafluoro-lambda5-phosphane);1,2,3,5-tetramethylbenzene;toluene;bis(tridecane);dihydrofluoride
CID 159938124
Benzenesulfonic acid;bis(4-benzylbenzenethiol);bis(1-benzyl-4-phenylsulfanylbenzene);2-cyclopentyl-1-naphthalen-2-ylethanone;9,10-dimethoxyanthracene-2-sulfonic acid;1-ethoxy-4-[(4-methylphenyl)methyl]benzene;3-methyl-1-phenylbutan-1-one;2,3,4,5,6-pentafluorobenzenesulfonic acid;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid
CID 160006950
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-lambda5-phosphane;toluene;bis(tridecane);2,4,6-trimethylbenzenesulfonic acid;hydrofluoride
CID 161211907
Anthracene-1-sulfonate;2-butoxycarbonylbenzenesulfonate;chloromethyl-methyl-phenylsulfanium;9,10-dimethoxyanthracene-2-sulfonate;dimethyl(phenacyl)sulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;octane-1-sulfonate;pentafluoro-lambda5-arsane;bis(phenyl-(4-phenylsulfanylphenyl)sulfanium);phenylsulfanium;bis(phenyl-(4-sulfanylphenyl)sulfanium);2,4,6-trimethylbenzenesulfonate;fluoride;hexafluorophosphate
CID 162082054

Frequently Asked Questions

What is the IUPAC name of 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite?
The IUPAC name of 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite (CID 157181140) is 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite.
What is the SMILES notation for 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite?
The canonical SMILES for 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite is CC(C)CC(=O)c1ccccc1.CC(CCl)c1ccccc1.CCCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCS(=O)(=O)[O-].CCCCOC(=O)c1ccccc1SOO[O-].CCCCOc1ccc(Cc2ccccc2)cc1.CCOc1ccc(Cc2ccc(C)cc2)cc1.CCc1cc(C)c(S(=O)(=O)[O-])c(C)c1.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc12.Cc1ccccc1.FC(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.O=C(CC1CCCC1)c1ccc2ccccc2c1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCC1)c1ccccc1.O=C(CC1CCCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S([O-])[O-].Sc1ccc(Cc2ccccc2)cc1.Sc1ccc(Cc2ccccc2)cc1.[F-].[F-].[F-].[O-]OOSc1cccc2cc3ccccc3cc12.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.c1ccc(Cc2ccc(Sc3ccccc3)cc2)cc1.
What is the InChIKey of 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite?
The InChIKey is IZUYJNXFCWYABF-UHFFFAOYSA-A. The full InChI is InChI=1S/2C19H16S.C17H18O.C17H20O.C16H14O5S.C16H18O.C14H10O3S.C14H18O.2C13H16O.2C13H12S.2C13H28.C11H14O5S.C11H14O.C10H14O3S.C9H11Cl.C8H18O3S.C7H8.2C6HF5O3S.2C6H6O3S.CHF3O3S.CHF3.3F5P.3FH.H2O3S/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;1-2-3-13-18-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15;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;15-16-17-18-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;2*14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;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;1-2-3-8-14-11(12)9-6-4-5-7-10(9)17-16-15-13;1-9(2)8-11(12)10-6-4-3-5-7-10;1-4-9-5-7(2)10(8(3)6-9)14(11,12)13;1-8(7-10)9-5-3-2-4-6-9;1-2-3-4-5-6-7-8-12(9,10)11;1-7-5-3-2-4-6-7;2*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;2-1(3,4)8(5,6)7;2-1(3)4;3*1-6(2,3,4)5;;;;1-4(2)3/h2*1-14H,15H2;3-4,7-10,12-13H,1-2,5-6,11H2;4-12H,2-3,13-14H2,1H3;3-9H,1-2H3,(H,17,18,19);4-11H,3,12H2,1-2H3;1-9,15H;2,5-6,9-10,12H,1,3-4,7-8,11H2;2*1-3,8-9,11H,4-7,10H2;2*1-9,14H,10H2;2*3-13H2,1-2H3;4-7,13H,2-3,8H2,1H3;3-7,9H,8H2,1-2H3;5-6H,4H2,1-3H3,(H,11,12,13);2-6,8H,7H2,1H3;2-8H2,1H3,(H,9,10,11);2-6H,1H3;2*(H,12,13,14);2*1-5H,(H,7,8,9);(H,5,6,7);1H;;;;3*1H;(H2,1,2,3)/p-15.
What are the key properties of 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite?
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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite has a molecular weight of 5796.10 g/mol, XLogP of 75.90, 85 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 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-λ5-phosphane);toluene;bis(tridecane);trifluoromethanesulfonate;trifluoride;sulfite is sourced from PubChem (CID 157181140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).