C.I. DIRECT BLUE 10

tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate

CAS: 4198-19-0

Molecular Formula	`C34H22N4Na4O18S4`
Molecular Weight	994.8 g/mol
Topological Polar Surface Area	411.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	22
Rotatable Bonds	7
Exact Mass	993.94025
Heavy Atoms	64
Complexity	1820.0

Chemical Identifiers

CAS Number	4198-19-0
SMILES	`COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+].[Na+]`
InChIKey	`JRSUTLDDNLWTTA-UHFFFAOYSA-J`

📖 Product Overview

C.I. DIRECT BLUE 10 (CAS: 4198-19-0) is a chemical compound with molecular formula C34H22N4Na4O18S4 and molecular weight 994.8 g/mol. Its IUPAC systematic name is tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate. Topological Polar Surface Area 411.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 22 Rotatable Bonds 7 Exact Mass 993.94025 Heavy Atoms 64 Complexity 1820.0 InChI Key: JRSUTLDDNLWTTA-UHFFFAOYSA-J. SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+].[Na+].

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