Chromotropic acid sodium salt

C10H8NaO8S2 — CID 88518702

IUPAC—
SMILESO=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[Na]
InChIInChI=1S/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);
InChIKeyNFUBDAYOCNSUIG-UHFFFAOYSA-N
MW343.29 g/mol
LogP0.36
Rot. Bonds2

About Chromotropic acid sodium salt

Chromotropic acid sodium salt (PubChem CID 88518702) has the molecular formula C10H8NaO8S2 and a molecular weight of 343.29 g/mol.

Molecular Properties

Compound NameChromotropic acid sodium salt
PubChem CID88518702
Molecular FormulaC10H8NaO8S2
Molecular Weight343.29 g/mol
Exact Mass342.96
IUPAC Name—
SMILESO=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[Na]
InChIInChI=1S/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);
InChIKeyNFUBDAYOCNSUIG-UHFFFAOYSA-N
XLogP0.36
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
CID 143211913
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
4-(ethylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 23320334
CID 87126465
CID 87126465
4,5-dihydroxy-7-(3-hydroxy-7-sulfonaphthalen-2-yl)oxysulfonylnaphthalene-2-sulfonic acid
CID 91605554
7-amino-4-hydroxy-5-(2-sulfopropan-2-yl)naphthalene-2-sulfonic acid
CID 56973887
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 11048924
4-hydroxy-5-[(2-hydroxybenzoyl)amino]naphthalene-2,7-disulfonic acid
CID 102295742
4,5-dihydroxynaphthalene-2,7-disulfonic acid;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;titanium(2+)
CID 154804552
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641

Frequently Asked Questions

What is the IUPAC name of Chromotropic acid sodium salt?
The IUPAC name of Chromotropic acid sodium salt (CID 88518702) is not available.
What is the SMILES notation for Chromotropic acid sodium salt?
The canonical SMILES for Chromotropic acid sodium salt is O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[Na].
What is the InChIKey of Chromotropic acid sodium salt?
The InChIKey is NFUBDAYOCNSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);.
What are the key properties of Chromotropic acid sodium salt?
Chromotropic acid sodium salt has a molecular weight of 343.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Chromotropic acid sodium salt is sourced from PubChem (CID 88518702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).