tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium

C32H20ClCrN8Na4O17S3+ — CID 170841896

IUPACtetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium
SMILESNc1ccc2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc(Cl)c3[O-])c(S(=O)(=O)[O-])cc2c1.Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3O)c(O)c2c1.[Cr].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C16H11ClN4O7S.C16H12N4O10S2.Cr.4Na/c17-11-5-9(21(24)25)6-12(16(11)23)19-20-14-13(29(26,27)28)4-7-3-8(18)1-2-10(7)15(14)22;17-8-2-1-7-3-12(31(25,26)27)14(15(21)10(7)4-8)19-18-11-5-9(20(23)24)6-13(16(11)22)32(28,29)30;;;;;/h1-6,22-23H,18H2,(H,26,27,28);1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;;;;/q;;;4*+1/p-3/b20-19+;19-18+;;;;;
InChIKeyUXZDFQIIJAGIOG-KXHNCCEGSA-K
MW1064.16 g/mol
LogP-6.89
Rot. Bonds9

About tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium

tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium (PubChem CID 170841896) has the molecular formula C32H20ClCrN8Na4O17S3+ and a molecular weight of 1064.16 g/mol. Its IUPAC name is tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium.

Molecular Properties

Compound Nametetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium
PubChem CID170841896
Molecular FormulaC32H20ClCrN8Na4O17S3+
Molecular Weight1064.16 g/mol
Exact Mass1062.88
IUPAC Nametetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium
SMILESNc1ccc2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc(Cl)c3[O-])c(S(=O)(=O)[O-])cc2c1.Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3O)c(O)c2c1.[Cr].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C16H11ClN4O7S.C16H12N4O10S2.Cr.4Na/c17-11-5-9(21(24)25)6-12(16(11)23)19-20-14-13(29(26,27)28)4-7-3-8(18)1-2-10(7)15(14)22;17-8-2-1-7-3-12(31(25,26)27)14(15(21)10(7)4-8)19-18-11-5-9(20(23)24)6-13(16(11)22)32(28,29)30;;;;;/h1-6,22-23H,18H2,(H,26,27,28);1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;;;;/q;;;4*+1/p-3/b20-19+;19-18+;;;;;
InChIKeyUXZDFQIIJAGIOG-KXHNCCEGSA-K
XLogP-6.89
TPSA440.28 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001064.16
LogP ≤ 5-6.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-amino-3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136880439
disodium;7-amino-3-[[6-[(5-carboxy-3-pyridinyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]diazenyl]-4-oxidonaphthalene-2-sulfonate
CID 136747730
6-amino-3-[[4-[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 153382271
sodium 2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate
CID 136784995
sodium 7-amino-4-hydroxy-3-phenyldiazenylnaphthalene-2-sulfonate
CID 135570888
trisodium;6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
CID 135565092
CID 137180855
CID 137180855
tetrasodium;3-[[4-[[4-[(6-amino-1-oxido-3-sulfonaphthalen-2-yl)diazenyl]-6-sulfonatonaphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonate
CID 101431198
3-[(5-amino-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135966889
6-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 165341644
disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 137140608
7-amino-3-[[4-[4-[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136700319

Frequently Asked Questions

What is the IUPAC name of tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The IUPAC name of tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium (CID 170841896) is tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium.
What is the SMILES notation for tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The canonical SMILES for tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium is Nc1ccc2c([O-])c(/N=N/c3cc([N+](=O)[O-])cc(Cl)c3[O-])c(S(=O)(=O)[O-])cc2c1.Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3O)c(O)c2c1.[Cr].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium?
The InChIKey is UXZDFQIIJAGIOG-KXHNCCEGSA-K. The full InChI is InChI=1S/C16H11ClN4O7S.C16H12N4O10S2.Cr.4Na/c17-11-5-9(21(24)25)6-12(16(11)23)19-20-14-13(29(26,27)28)4-7-3-8(18)1-2-10(7)15(14)22;17-8-2-1-7-3-12(31(25,26)27)14(15(21)10(7)4-8)19-18-11-5-9(20(23)24)6-13(16(11)22)32(28,29)30;;;;;/h1-6,22-23H,18H2,(H,26,27,28);1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;;;;/q;;;4*+1/p-3/b20-19+;19-18+;;;;;.
What are the key properties of tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium?
tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium has a molecular weight of 1064.16 g/mol, XLogP of -6.89, 9 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;7-amino-3-[(3-chloro-5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;chromium is sourced from PubChem (CID 170841896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).