disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

C35H25ClCrN6Na2O10S+2 — CID 170840702

About disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol

disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 170840702) has the molecular formula C35H25ClCrN6Na2O10S+2 and a molecular weight of 855.11 g/mol. Its IUPAC name is disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
• PubChem CID: 170840702
• Molecular Formula: C35H25ClCrN6Na2O10S+2
• Molecular Weight: 855.11 g/mol
• Exact Mass: 854.02
• IUPAC Name: disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
• SMILES: C=CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c2c1.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Cr].[Na+].[Na+]
• InChI: InChI=1S/C19H14ClN3O6S.C16H11N3O4.Cr.2Na/c1-2-17(25)21-12-5-3-10-7-16(30(27,28)29)18(19(26)13(10)9-12)23-22-14-8-11(20)4-6-15(14)24;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-9,20-21H;;;/q;;;2*+1/b23-22+;18-17+
• InChIKey: RJJNAFQGHKOJPH-KXWKEFMRSA-N
• XLogP: 3.27
• TPSA: 256.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	855.11
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?

The IUPAC name of disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 170840702) is disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol.

What is the SMILES notation for disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?

The canonical SMILES for disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is C=CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3cc(Cl)ccc3O)c(O)c2c1.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1.[Cr].[Na+].[Na+].

What is the InChIKey of disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?

The InChIKey is RJJNAFQGHKOJPH-KXWKEFMRSA-N. The full InChI is InChI=1S/C19H14ClN3O6S.C16H11N3O4.Cr.2Na/c1-2-17(25)21-12-5-3-10-7-16(30(27,28)29)18(19(26)13(10)9-12)23-22-14-8-11(20)4-6-15(14)24;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;;/h2-9,24,26H,1H2,(H,21,25)(H,27,28,29);1-9,20-21H;;;/q;;;2*+1/b23-22+;18-17+;;;.

What are the key properties of disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol?

disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 855.11 g/mol, XLogP of 3.27, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;3-[(5-chloro-2-hydroxyphenyl)diazenyl]-4-hydroxy-6-(prop-2-enoylamino)naphthalene-2-sulfonic acid;chromium;1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 170840702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).