Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1)
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![Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f94b2f9be5b84c34af5deb3bc401865d.png "Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1)")
Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1)
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CAS No:
6424-90-4
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Formula:
C31H26N2O7S.Na
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Chemical Name:
Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1)
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Synonyms:
Benzoic acid,2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-,1-ethyl ester,sodium salt (1:1);o-Toluic acid,α-[4-[(4-amino-3-sulfo-1-anthraquinonyl)amino]-m-tolyl]-,1-ethyl ester,monosodium salt;Wool Fast Blue FGLL;Benzoic acid,2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-,1-ethyl ester,monosodium salt;C.I. 62155;C.I. Acid Blue 111;Acid Blue 111
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CAS No:
Benzoic acid, 2-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-3-methylphenyl]methyl]-, 1-ethyl ester, sodium salt (1:1) Basic Attributes
592.598
592.128
613-524-5
Computed Properties
Molecular Weight:592.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:592.12801660
Monoisotopic Mass:592.12801660
Topological Polar Surface Area:164
Heavy Atom Count:42
Complexity:1100
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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