sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide

C140H152Cl8N15NaO37S — CID 159065257

IUPACsodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide
SMILESC=C(CC#N)OC.CC(C)(C)CC(C)(C)c1ccc(O)c(N)c1.CC(C)(C)CC(C)(C)c1ccc(O)cc1.CC(C)(C)CC(C)(C)c1ccc2oc(CC#N)nc2c1.COC(=O)CC(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(Cl)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(OC=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.Cc1cc(N)ccc1C=O.Nc1cc([N+](=O)[O-])ccc1Cl.O=S(=O)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C17H13ClN2O7.C17H22N2O.C16H12Cl2N2O5.C16H13ClN2O6.C16H13ClN2O5.C14H23NO.C14H22O.C11H12O4.C8H9NO.C6H5ClN2O2.C5H7NO.Cl2O2S.Na.H2O/c1-26-12-5-2-10(3-6-12)15(22)16(27-9-21)17(23)19-14-8-11(20(24)25)4-7-13(14)18;1-16(2,3)11-17(4,5)12-6-7-14-13(10-12)19-15(20-14)8-9-18;1-25-11-5-2-9(3-6-11)15(21)14(18)16(22)19-13-8-10(20(23)24)4-7-12(13)17;1-25-11-5-2-9(3-6-11)14(20)15(21)16(22)18-13-8-10(19(23)24)4-7-12(13)17;1-24-12-5-2-10(3-6-12)15(20)9-16(21)18-14-8-11(19(22)23)4-7-13(14)17;1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10;1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2;1-6-4-8(9)3-2-7(6)5-10;7-5-2-1-4(9(10)11)3-6(5)8;1-5(7-2)3-4-6;1-5(2,3)4;;/h2-9,16H,1H3,(H,19,23);6-7,10H,8,11H2,1-5H3;2-8,14H,1H3,(H,19,22);2-8,15,21H,1H3,(H,18,22);2-8H,9H2,1H3,(H,18,21);6-8,16H,9,15H2,1-5H3;6-9,15H,10H2,1-5H3;3-6H,7H2,1-2H3;2-5H,9H2,1H3;1-3H,8H2;1,3H2,2H3;;;1H2/q;;;;;;;;;;;;+1;/p-1
InChIKeyJYYYGHANYNTXNG-UHFFFAOYSA-M
MW2975.50 g/mol
LogP27.87
Rot. Bonds41

About sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide

sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide (PubChem CID 159065257) has the molecular formula C140H152Cl8N15NaO37S and a molecular weight of 2975.50 g/mol. Its IUPAC name is sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide.

Molecular Properties

Compound Namesodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide
PubChem CID159065257
Molecular FormulaC140H152Cl8N15NaO37S
Molecular Weight2975.50 g/mol
Exact Mass2969.76
IUPAC Namesodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide
SMILESC=C(CC#N)OC.CC(C)(C)CC(C)(C)c1ccc(O)c(N)c1.CC(C)(C)CC(C)(C)c1ccc(O)cc1.CC(C)(C)CC(C)(C)c1ccc2oc(CC#N)nc2c1.COC(=O)CC(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(Cl)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(OC=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.Cc1cc(N)ccc1C=O.Nc1cc([N+](=O)[O-])ccc1Cl.O=S(=O)(Cl)Cl.[Na+].[OH-]
InChIInChI=1S/C17H13ClN2O7.C17H22N2O.C16H12Cl2N2O5.C16H13ClN2O6.C16H13ClN2O5.C14H23NO.C14H22O.C11H12O4.C8H9NO.C6H5ClN2O2.C5H7NO.Cl2O2S.Na.H2O/c1-26-12-5-2-10(3-6-12)15(22)16(27-9-21)17(23)19-14-8-11(20(24)25)4-7-13(14)18;1-16(2,3)11-17(4,5)12-6-7-14-13(10-12)19-15(20-14)8-9-18;1-25-11-5-2-9(3-6-11)15(21)14(18)16(22)19-13-8-10(20(23)24)4-7-12(13)17;1-25-11-5-2-9(3-6-11)14(20)15(21)16(22)18-13-8-10(19(23)24)4-7-12(13)17;1-24-12-5-2-10(3-6-12)15(20)9-16(21)18-14-8-11(19(22)23)4-7-13(14)17;1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10;1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2;1-6-4-8(9)3-2-7(6)5-10;7-5-2-1-4(9(10)11)3-6(5)8;1-5(7-2)3-4-6;1-5(2,3)4;;/h2-9,16H,1H3,(H,19,23);6-7,10H,8,11H2,1-5H3;2-8,14H,1H3,(H,19,22);2-8,15,21H,1H3,(H,18,22);2-8H,9H2,1H3,(H,18,21);6-8,16H,9,15H2,1-5H3;6-9,15H,10H2,1-5H3;3-6H,7H2,1-2H3;2-5H,9H2,1H3;1-3H,8H2;1,3H2,2H3;;;1H2/q;;;;;;;;;;;;+1;/p-1
InChIKeyJYYYGHANYNTXNG-UHFFFAOYSA-M
XLogP27.87
TPSA819.00 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds41
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002975.50
LogP ≤ 527.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide with MolForge

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Related Compounds

[1-[2-chloro-5-[(4-hydroxyphenyl)methyl]anilino]-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] N-[4-[(E)-2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]-N-cyclopentylcarbamate;[1-[2-chloro-5-[[2-(methanesulfonamido)naphthalen-1-yl]methyl]anilino]-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] 2-[4-[(E)-2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]acetate
CID 90749504
2-bromo-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide
CID 20660513
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)-3-oxopropanamide
CID 92508875
[1-[2-chloro-5-[[4-(methanesulfonamido)phenyl]sulfonylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl] N-[4-[(E)-2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]-N-cyclopentylcarbamate
CID 59930937
N-(2-chloro-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168198
[1-[2-chloro-5-(hexadecylsulfamoyl)anilino]-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] N-[4-[2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]-3-methylphenyl]-N-dodecylcarbamate
CID 54375728
[1-[2-chloro-5-[[2-hydroxy-4-(methanesulfonamido)phenyl]methyl]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl] N-[4-[(E)-2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]-N-cyclopentylcarbamate
CID 59930918
(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
CID 7830357
[1-[5-[[2,4-bis(methanesulfonamido)phenyl]sulfonylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl] N-[4-[(E)-2-cyano-2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]ethenyl]-3-methylphenyl]-N-cyclopentylcarbamate
CID 59930951
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23802628
2-chloro-N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-3-(4-methoxyphenyl)-3-oxopropanamide
CID 88508931
N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-nitrophenoxy]-4,4-dimethyl-3-oxopentanamide
CID 174452096

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide?
The IUPAC name of sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide (CID 159065257) is sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide.
What is the SMILES notation for sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide?
The canonical SMILES for sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide is C=C(CC#N)OC.CC(C)(C)CC(C)(C)c1ccc(O)c(N)c1.CC(C)(C)CC(C)(C)c1ccc(O)cc1.CC(C)(C)CC(C)(C)c1ccc2oc(CC#N)nc2c1.COC(=O)CC(=O)c1ccc(OC)cc1.COc1ccc(C(=O)C(Cl)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)C(OC=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.COc1ccc(C(=O)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.Cc1cc(N)ccc1C=O.Nc1cc([N+](=O)[O-])ccc1Cl.O=S(=O)(Cl)Cl.[Na+].[OH-].
What is the InChIKey of sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide?
The InChIKey is JYYYGHANYNTXNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2O7.C17H22N2O.C16H12Cl2N2O5.C16H13ClN2O6.C16H13ClN2O5.C14H23NO.C14H22O.C11H12O4.C8H9NO.C6H5ClN2O2.C5H7NO.Cl2O2S.Na.H2O/c1-26-12-5-2-10(3-6-12)15(22)16(27-9-21)17(23)19-14-8-11(20(24)25)4-7-13(14)18;1-16(2,3)11-17(4,5)12-6-7-14-13(10-12)19-15(20-14)8-9-18;1-25-11-5-2-9(3-6-11)15(21)14(18)16(22)19-13-8-10(20(23)24)4-7-12(13)17;1-25-11-5-2-9(3-6-11)14(20)15(21)16(22)18-13-8-10(19(23)24)4-7-12(13)17;1-24-12-5-2-10(3-6-12)15(20)9-16(21)18-14-8-11(19(22)23)4-7-13(14)17;1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10;1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2;1-6-4-8(9)3-2-7(6)5-10;7-5-2-1-4(9(10)11)3-6(5)8;1-5(7-2)3-4-6;1-5(2,3)4;;/h2-9,16H,1H3,(H,19,23);6-7,10H,8,11H2,1-5H3;2-8,14H,1H3,(H,19,22);2-8,15,21H,1H3,(H,18,22);2-8H,9H2,1H3,(H,18,21);6-8,16H,9,15H2,1-5H3;6-9,15H,10H2,1-5H3;3-6H,7H2,1-2H3;2-5H,9H2,1H3;1-3H,8H2;1,3H2,2H3;;;1H2/q;;;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide?
sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide has a molecular weight of 2975.50 g/mol, XLogP of 27.87, 41 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-2-methylbenzaldehyde;2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol;2-chloro-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;2-chloro-5-nitroaniline;[1-(2-chloro-5-nitroanilino)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl] formate;N-(2-chloro-5-nitrophenyl)-2-hydroxy-3-(4-methoxyphenyl)-3-oxopropanamide;N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide;3-methoxybut-3-enenitrile;methyl 3-(4-methoxyphenyl)-3-oxopropanoate;sulfuryl dichloride;2-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]acetonitrile;4-(2,4,4-trimethylpentan-2-yl)phenol;hydroxide is sourced from PubChem (CID 159065257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).