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6441-98-1

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Basic Information
CAS No.: 6441-98-1
Name: Mordant Orange 37
Molecular Structure:
Molecular Structure of 6441-98-1 (Mordant Orange 37)
Formula: C16H13N4NaO5S
Molecular Weight: 396.35
Synonyms: Benzenesulfonicacid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-,monosodium salt (9CI);C.I. Mordant Orange 37, monosodium salt (8CI);AcidChrome Orange 2R;Acid Chrome Orange RL;C.I. 18730;C.I. Mordant Orange 37;Chrome Fast Orange RL;Diamond Orange LR;Durochrome Orange LR;Java ChromeOrange P;Magracrom Orange RL;Mordant Orange 37;
EINECS: 229-234-3
PSA: 143.20000
LogP: 2.75270
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    6441-98-1

    Mordant orange 37

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Specification

The Mordant Orange 37 with the cas number 6441-98-1 is also called AcidChrome Orange 2R. The systematic name is sodium 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonate. Its EINECS registry number is 229-234-3. The molecular formula is C16H13N4NaO5S.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)cc3
(2)InChI: InChI=1/C16H14N4O5S.Na/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;/h2-9,15,21H,1H3,(H,23,24,25);/q;+1/p-1
(3)InChIKey: NGDUADGCPAWJIG-REWHXWOFAQ