5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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![5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7867e2644ad945f3adda4d709e382c98.png "5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid")
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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CAS No:
7452-51-9
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Formula:
C27H27NO6
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Chemical Name:
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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Synonyms:
Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-;C.I. Mordant Violet 1;5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid;C.I. 43565;Brilliant Monochrome Violet 2B;Chromaven Brilliant Violet R;Diamond Brilliant Violet RE;Eriochromal Brilliant Violet R;Eriochrome Brilliant Violet R;Mitsui Chrome Brilliant Violet RX;Omega Chrome Violet RC;Perchrome Violet BL;Shimazaki Chrome Brilliant Violet RX;Solochrome Brilliant Violet R;Sunchromine Brilliant Violet R;Superchrome Brilliant Violet NR;Solochrome Brilliant Violet R S;Chromoxane Brilliant Violet RE
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CAS No:
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid Basic Attributes
461.50600
461.51
231-222-8
DTXSID5064708
5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid Use and Manufacturing
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-: ACTIVE
Computed Properties
Molecular Weight:461.5
XLogP3:6.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:461.18383758
Monoisotopic Mass:461.18383758
Topological Polar Surface Area:115
Heavy Atom Count:34
Complexity:904
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid
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