Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?)
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![Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/89ae8d7523be44ad88dd60008a4d763b.png "Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?)")
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?)
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CAS No:
93917-98-7
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Formula:
C23H16Cl2O9S.xNa
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Chemical Name:
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?)
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Synonyms:
Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-,sodium salt (1:?);Benzoic acid,5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-,sodium salt
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CAS No:
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?) Basic Attributes
605.28423
603.935
299-879-3
Computed Properties
Molecular Weight:605.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:603.9350414
Monoisotopic Mass:603.9350414
Topological Polar Surface Area:183
Heavy Atom Count:38
Complexity:1090
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-4-sulfophenyl)methyl]-2-hydroxy-3-methyl-, sodium salt (1:?)
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