8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride

C269H298Cl2F15N3O34PS8Sb — CID 159902043

IUPAC8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride
SMILESCC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1.CCCCC.CCCCC.CCCCCCCCCCCCC.CCOc1ccc(S(=O)(=O)O)c2ccccc12.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)O.COc1ccc(Cc2ccccc2)cc1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1cccc(Cc2cccc([N+](=O)[O-])c2)c1.Clc1ccc(Cc2ccc(Cl)cc2)cc1.F.F.FP(F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)c1ccc2cccc(Nc3ccccc3)c2c1.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1ccccc1.O=[N+]([O-])c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H30O3S.C17H20.C16H13NO3S.C16H14O5S.2C15H16.C14H13NO2.C14H12O5S.C14H14O.C13H10Cl2.C13H11NO2.4C13H12.C13H28.C12H12O4S.C10H8O3S.C6H6O3S.2C5H12.CHF3O3S.F5P.7FH.Sb/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;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;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-4-2-5-12(8-11)9-13-6-3-7-14(10-13)15(16)17;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;4*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;7-10(8,9)6-4-2-1-3-5-6;2*1-3-5-4-2;2-1(3,4)8(5,6)7;1-6(2,3,4)5;;;;;;;;/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);5-10H,11H2,1-4H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,11H2,1-2H3;2-8,10H,9H2,1H3;2-9H,1H3,(H,16,17,18);2-10H,11H2,1H3;1-8H,9H2;1-9H,10H2;4*1-10H,11H2;3-13H2,1-2H3;3-8H,2H2,1H3,(H,13,14,15);1-7H,(H,11,12,13);1-5H,(H,7,8,9);2*3-5H2,1-2H3;(H,5,6,7);;7*1H;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+5/p-5
InChIKeyNWBXULQLMISIOC-UHFFFAOYSA-I
MW4882.48 g/mol
LogP74.95
Rot. Bonds62

About 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride

8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride (PubChem CID 159902043) has the molecular formula C269H298Cl2F15N3O34PS8Sb and a molecular weight of 4882.48 g/mol. Its IUPAC name is 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride.

Molecular Properties

Compound Name8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride
PubChem CID159902043
Molecular FormulaC269H298Cl2F15N3O34PS8Sb
Molecular Weight4882.48 g/mol
Exact Mass4876.74
IUPAC Name8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride
SMILESCC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1.CCCCC.CCCCC.CCCCCCCCCCCCC.CCOc1ccc(S(=O)(=O)O)c2ccccc12.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)O.COc1ccc(Cc2ccccc2)cc1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1cccc(Cc2cccc([N+](=O)[O-])c2)c1.Clc1ccc(Cc2ccc(Cl)cc2)cc1.F.F.FP(F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)c1ccc2cccc(Nc3ccccc3)c2c1.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1ccccc1.O=[N+]([O-])c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H30O3S.C17H20.C16H13NO3S.C16H14O5S.2C15H16.C14H13NO2.C14H12O5S.C14H14O.C13H10Cl2.C13H11NO2.4C13H12.C13H28.C12H12O4S.C10H8O3S.C6H6O3S.2C5H12.CHF3O3S.F5P.7FH.Sb/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;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;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-4-2-5-12(8-11)9-13-6-3-7-14(10-13)15(16)17;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;4*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;7-10(8,9)6-4-2-1-3-5-6;2*1-3-5-4-2;2-1(3,4)8(5,6)7;1-6(2,3,4)5;;;;;;;;/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);5-10H,11H2,1-4H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,11H2,1-2H3;2-8,10H,9H2,1H3;2-9H,1H3,(H,16,17,18);2-10H,11H2,1H3;1-8H,9H2;1-9H,10H2;4*1-10H,11H2;3-13H2,1-2H3;3-8H,2H2,1H3,(H,13,14,15);1-7H,(H,11,12,13);1-5H,(H,7,8,9);2*3-5H2,1-2H3;(H,5,6,7);;7*1H;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+5/p-5
InChIKeyNWBXULQLMISIOC-UHFFFAOYSA-I
XLogP74.95
TPSA596.49 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds62
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004882.48
LogP ≤ 574.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride with MolForge

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Related Compounds

5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;trifluoromethanesulfonate
CID 157682025
benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis(3-nitrophenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;tris(diphenyliodanium);1-ethoxy-4-oxidoperoxysulfanylnaphthalene;(4-methoxyphenyl)-phenyliodanium;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;1-oxidoperoxysulfanyl-4-(4,6,8-trimethylnonan-2-yl)benzene;pentafluoro-lambda5-phosphane;pentafluoro-lambda5-stibane;tridecane;bis(trifluoromethanesulfonate);difluoride
CID 159110896
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;trifluoromethanesulfonate
CID 159938022
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-lambda5-arsane;trifluoromethanesulfonate;fluoride
CID 160226183
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);bis[4-(trifluoromethyl)phenyl]iodanium;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-lambda5-arsane;trifluoromethanesulfonate;fluoride
CID 161629869
8-Anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dioxoanthracene-2-sulfonic acid;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;bis(1-(2-methylbutan-2-yl)-4-[[4-(2-methylbutan-2-yl)phenyl]methyl]benzene);1-methyl-4-[(4-methylphenyl)methyl]benzene;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;pyrene-2-sulfonic acid;toluene;tridecane;2,4,6-trimethylbenzenesulfonic acid
CID 161980139
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methylphenyl)iodanium;9,10-dioxoanthracene-2-sulfonate;tris(diphenyliodanium);1-ethoxy-4-oxidoperoxysulfanylnaphthalene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate
CID 157120188
5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(bis(4-methylphenyl)iodanium);9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;1-ethoxy-4-oxidoperoxysulfanylnaphthalene;methane;(4-nitrophenyl)-phenyliodanium;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pentafluoro-lambda5-arsane;fluoride
CID 160622066

Frequently Asked Questions

What is the IUPAC name of 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride?
The IUPAC name of 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride (CID 159902043) is 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride.
What is the SMILES notation for 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride?
The canonical SMILES for 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride is CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1.CCCCC.CCCCC.CCCCCCCCCCCCC.CCOc1ccc(S(=O)(=O)O)c2ccccc12.COc1c2ccccc2c(OC)c2cc(S(=O)(=O)O)ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)O.COc1ccc(Cc2ccccc2)cc1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1cccc(Cc2cccc([N+](=O)[O-])c2)c1.Clc1ccc(Cc2ccc(Cl)cc2)cc1.F.F.FP(F)(F)(F)F.F[Sb](F)(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)c1ccc2cccc(Nc3ccccc3)c2c1.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1ccccc1.O=[N+]([O-])c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride?
The InChIKey is NWBXULQLMISIOC-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H30O3S.C17H20.C16H13NO3S.C16H14O5S.2C15H16.C14H13NO2.C14H12O5S.C14H14O.C13H10Cl2.C13H11NO2.4C13H12.C13H28.C12H12O4S.C10H8O3S.C6H6O3S.2C5H12.CHF3O3S.F5P.7FH.Sb/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;18-21(19,20)14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;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;2*1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-4-2-5-12(8-11)9-13-6-3-7-14(10-13)15(16)17;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;4*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-16-11-7-8-12(17(13,14)15)10-6-4-3-5-9(10)11;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;7-10(8,9)6-4-2-1-3-5-6;2*1-3-5-4-2;2-1(3,4)8(5,6)7;1-6(2,3,4)5;;;;;;;;/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);5-10H,11H2,1-4H3;1-11,17H,(H,18,19,20);3-9H,1-2H3,(H,17,18,19);2*3-10H,11H2,1-2H3;2-8,10H,9H2,1H3;2-9H,1H3,(H,16,17,18);2-10H,11H2,1H3;1-8H,9H2;1-9H,10H2;4*1-10H,11H2;3-13H2,1-2H3;3-8H,2H2,1H3,(H,13,14,15);1-7H,(H,11,12,13);1-5H,(H,7,8,9);2*3-5H2,1-2H3;(H,5,6,7);;7*1H;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+5/p-5.
What are the key properties of 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride?
8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride has a molecular weight of 4882.48 g/mol, XLogP of 74.95, 62 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinonaphthalene-2-sulfonic acid;benzenesulfonic acid;5-benzoyl-2-methoxybenzenesulfonic acid;benzylbenzene;1-benzyl-4-methoxybenzene;1-benzyl-4-nitrobenzene;1-chloro-4-[(4-chlorophenyl)methyl]benzene;9,10-dimethoxyanthracene-2-sulfonic acid;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-ethoxynaphthalene-1-sulfonic acid;bis(1-methyl-4-[(4-methylphenyl)methyl]benzene);1-methyl-3-[(3-nitrophenyl)methyl]benzene;naphthalene-1-sulfonic acid;pentafluoro-λ5-phosphane;pentafluoro-λ5-stibane;bis(pentane);tridecane;trifluoromethanesulfonic acid;4-(4,6,8-trimethylnonan-2-yl)benzenesulfonic acid;dihydrofluoride is sourced from PubChem (CID 159902043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).