tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper

C35H27ClCuN6Na4O17S4+4 — CID 170840795

About tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper

tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper (PubChem CID 170840795) has the molecular formula C35H27ClCuN6Na4O17S4+4 and a molecular weight of 1122.85 g/mol. Its IUPAC name is tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper.

Molecular Properties

• Compound Name: tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper
• PubChem CID: 170840795
• Molecular Formula: C35H27ClCuN6Na4O17S4+4
• Molecular Weight: 1122.85 g/mol
• Exact Mass: 1120.89
• IUPAC Name: tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper
• SMILES: COc1cc(/N=N/c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1/N=C(\O)Nc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)O)cc(Cl)c3O)c(S(=O)(=O)O)cc2c1.[Cu].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C35H27ClN6O17S4.Cu.4Na/c1-15-5-25(29(59-2)14-24(15)39-40-26-11-19(60(47,48)49)7-17-8-20(61(50,51)52)13-28(43)31(17)26)38-35(46)37-18-3-4-22-16(6-18)9-30(63(56,57)58)32(33(22)44)42-41-27-12-21(62(53,54)55)10-23(36)34(27)45;;;;;/h3-14,43-45H,1-2H3,(H2,37,38,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;/q;;4*+1/b40-39+,42-41+
• InChIKey: FFXWZPVIJYIRJA-JFNQGWKZSA-N
• XLogP: -4.43
• TPSA: 381.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1122.85
LogP ≤ 5	-4.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper?

The IUPAC name of tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper (CID 170840795) is tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper.

What is the SMILES notation for tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper?

The canonical SMILES for tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper is COc1cc(/N=N/c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1/N=C(\O)Nc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)O)cc(Cl)c3O)c(S(=O)(=O)O)cc2c1.[Cu].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper?

The InChIKey is FFXWZPVIJYIRJA-JFNQGWKZSA-N. The full InChI is InChI=1S/C35H27ClN6O17S4.Cu.4Na/c1-15-5-25(29(59-2)14-24(15)39-40-26-11-19(60(47,48)49)7-17-8-20(61(50,51)52)13-28(43)31(17)26)38-35(46)37-18-3-4-22-16(6-18)9-30(63(56,57)58)32(33(22)44)42-41-27-12-21(62(53,54)55)10-23(36)34(27)45;;;;;/h3-14,43-45H,1-2H3,(H2,37,38,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;/q;;4*+1/b40-39+,42-41+;;;;;.

What are the key properties of tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper?

tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper has a molecular weight of 1122.85 g/mol, XLogP of -4.43, 11 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;4-[[4-[[[[6-[(3-chloro-2-hydroxy-5-sulfophenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]amino]-hydroxymethylidene]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid;copper is sourced from PubChem (CID 170840795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).