5-Benzamido-4-hydroxy-3-((2-(2-methylphenoxy)phenyl)diazenyl)naphthalene-2,7-disulfonic acid

HCID 166127

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Basic information

CAS: 98447-69-9
Standard SMILES: Cc1ccccc1Oc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(NC(=O)c3ccccc3)c2c1O
InChIKey: ZCVKUOVTPJMGFH-UHFFFAOYSA-N
Molecular formula: C30H23N3O9S2
Average molar mass: 633.7 g/mol
Monoisotopic mass: 633.08757167

Names & identifiers

Preferred name: 5-Benzamido-4-hydroxy-3-((2-(2-methylphenoxy)phenyl)diazenyl)naphthalene-2,7-disulfonic acid
IUPAC: 5-benzamido-4-hydroxy-3-[[2-(2-methylphenoxy)phenyl]diazenyl]naphthalene-2,7-disulfonic acid

Names & synonyms

5-Benzamido-4-hydroxy-3-((2-(2-methylphenoxy)phenyl)diazenyl)naphthalene-2,7-disulfonic acid5-Benzamido-4-hydroxy-3-{[2-(2-methylphenoxy)phenyl]diazenyl}naphthalene-2,7-disulfonic acidSCHEMBL12955140SCHEMBL14023359SCHEMBL18807154DTXSID40867896ZCVKUOVTPJMGFH-UHFFFAOYSA-N98447-69-9

Database identifiers

CAS: 98447-69-9
PubChem CID: 166127
DTXSID: DTXSID40867896

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 209 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 44
Formal charge: 0
Complexity: 1,230

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