2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate

C143H138N14O31S7 — CID 159214277

IUPAC2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate
SMILESCC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1.CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CCCCC(CC)COS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.CCCCCCOS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.COC(=O)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.[N-]=[N+]=C1C=C(S(=O)(=O)OCCOc2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C25H20N2O4S.2C24H26N2O4S.C18H12N2O6S.C18H14N2O5S.C18H22N2O4S.C16H18N2O4S/c1-25(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)31-32(29,30)23-16-22(27-26)24(28)21-11-7-6-10-20(21)23;1-23(2,3)15-24(4,5)16-9-11-17(12-10-16)30-31(28,29)21-8-6-7-19-18(21)13-14-20(26-25)22(19)27;1-23(2,3)15-24(4,5)16-10-12-17(13-11-16)30-31(28,29)21-14-20(26-25)22(27)19-9-7-6-8-18(19)21;1-25-18(22)11-6-8-12(9-7-11)26-27(23,24)16-10-15(20-19)17(21)14-5-3-2-4-13(14)16;19-20-16-12-17(14-8-4-5-9-15(14)18(16)21)26(22,23)25-11-10-24-13-6-2-1-3-7-13;1-3-5-8-13(4-2)12-24-25(22,23)17-11-16(20-19)18(21)15-10-7-6-9-14(15)17;1-2-3-4-7-10-22-23(20,21)15-11-14(18-17)16(19)13-9-6-5-8-12(13)15/h3-16H,1-2H3;2*6-14H,15H2,1-5H3;2-10H,1H3;1-9,12H,10-11H2;6-7,9-11,13H,3-5,8,12H2,1-2H3;5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyKQWICOXUIOFAAZ-UHFFFAOYSA-N
MW2773.21 g/mol
LogP25.38
Rot. Bonds40

About 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate

2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate (PubChem CID 159214277) has the molecular formula C143H138N14O31S7 and a molecular weight of 2773.21 g/mol. Its IUPAC name is 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate.

Molecular Properties

Compound Name2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate
PubChem CID159214277
Molecular FormulaC143H138N14O31S7
Molecular Weight2773.21 g/mol
Exact Mass2770.77
IUPAC Name2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate
SMILESCC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1.CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CCCCC(CC)COS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.CCCCCCOS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.COC(=O)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.[N-]=[N+]=C1C=C(S(=O)(=O)OCCOc2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C25H20N2O4S.2C24H26N2O4S.C18H12N2O6S.C18H14N2O5S.C18H22N2O4S.C16H18N2O4S/c1-25(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)31-32(29,30)23-16-22(27-26)24(28)21-11-7-6-10-20(21)23;1-23(2,3)15-24(4,5)16-9-11-17(12-10-16)30-31(28,29)21-8-6-7-19-18(21)13-14-20(26-25)22(19)27;1-23(2,3)15-24(4,5)16-10-12-17(13-11-16)30-31(28,29)21-14-20(26-25)22(27)19-9-7-6-8-18(19)21;1-25-18(22)11-6-8-12(9-7-11)26-27(23,24)16-10-15(20-19)17(21)14-5-3-2-4-13(14)16;19-20-16-12-17(14-8-4-5-9-15(14)18(16)21)26(22,23)25-11-10-24-13-6-2-1-3-7-13;1-3-5-8-13(4-2)12-24-25(22,23)17-11-16(20-19)18(21)15-10-7-6-9-14(15)17;1-2-3-4-7-10-22-23(20,21)15-11-14(18-17)16(19)13-9-6-5-8-12(13)15/h3-16H,1-2H3;2*6-14H,15H2,1-5H3;2-10H,1H3;1-9,12H,10-11H2;6-7,9-11,13H,3-5,8,12H2,1-2H3;5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyKQWICOXUIOFAAZ-UHFFFAOYSA-N
XLogP25.38
TPSA713.41 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.21
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate with MolForge

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Launch Full Analysis

Related Compounds

4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
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benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;dodecyl sulfate
CID 14513259
[4-[5-[4-[4-[4-(2-ethylhexoxy)phenyl]benzoyl]oxyphenoxy]pentoxy]phenyl] 4-[4-(2-ethylhexoxy)phenyl]benzoate
CID 122380529
[4-(2-ethylhexoxycarbonyl)phenyl] 4-(4-octoxyphenyl)benzoate
CID 67893826
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
octyl 4-[2-(4-tert-butylphenoxy)ethoxy]benzoate
CID 135297906
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
dimethyl benzene-1,2-dicarboxylate;2-ethylhexyl benzoate;hexyl benzoate;pentyl benzoate;2-phenoxyethanol;2-(2-phenoxyethoxy)ethanol;1-phenoxypropan-2-ol;1-(1-phenoxypropan-2-yloxy)propan-2-ol
CID 163854175
1-phenylpropyl 4-pentoxybenzoate
CID 54114898
2-ethylhexanoic acid;4-nonoxybenzoic acid
CID 68744350
1,1,1-trifluorodecan-2-yl 4-[2-(4-octoxyphenyl)phenyl]benzoate
CID 139607785

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate?
The IUPAC name of 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate (CID 159214277) is 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate.
What is the SMILES notation for 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate?
The canonical SMILES for 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate is CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1.CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.CCCCC(CC)COS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.CCCCCCOS(=O)(=O)C1=CC(=[N+]=[N-])C(=O)c2ccccc21.COC(=O)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc32)cc1.[N-]=[N+]=C1C=C(S(=O)(=O)OCCOc2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate?
The InChIKey is KQWICOXUIOFAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S.2C24H26N2O4S.C18H12N2O6S.C18H14N2O5S.C18H22N2O4S.C16H18N2O4S/c1-25(2,17-8-4-3-5-9-17)18-12-14-19(15-13-18)31-32(29,30)23-16-22(27-26)24(28)21-11-7-6-10-20(21)23;1-23(2,3)15-24(4,5)16-9-11-17(12-10-16)30-31(28,29)21-8-6-7-19-18(21)13-14-20(26-25)22(19)27;1-23(2,3)15-24(4,5)16-10-12-17(13-11-16)30-31(28,29)21-14-20(26-25)22(27)19-9-7-6-8-18(19)21;1-25-18(22)11-6-8-12(9-7-11)26-27(23,24)16-10-15(20-19)17(21)14-5-3-2-4-13(14)16;19-20-16-12-17(14-8-4-5-9-15(14)18(16)21)26(22,23)25-11-10-24-13-6-2-1-3-7-13;1-3-5-8-13(4-2)12-24-25(22,23)17-11-16(20-19)18(21)15-10-7-6-9-14(15)17;1-2-3-4-7-10-22-23(20,21)15-11-14(18-17)16(19)13-9-6-5-8-12(13)15/h3-16H,1-2H3;2*6-14H,15H2,1-5H3;2-10H,1H3;1-9,12H,10-11H2;6-7,9-11,13H,3-5,8,12H2,1-2H3;5-6,8-9,11H,2-4,7,10H2,1H3.
What are the key properties of 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate?
2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate has a molecular weight of 2773.21 g/mol, XLogP of 25.38, 40 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-diazo-4-oxonaphthalene-1-sulfonate;hexyl 3-diazo-4-oxonaphthalene-1-sulfonate;methyl 4-(3-diazo-4-oxonaphthalen-1-yl)sulfonyloxybenzoate;2-phenoxyethyl 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2-phenylpropan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 3-diazo-4-oxonaphthalene-1-sulfonate;[4-(2,4,4-trimethylpentan-2-yl)phenyl] 6-diazo-5-oxonaphthalene-1-sulfonate is sourced from PubChem (CID 159214277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).