8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
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![8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b1ca1098a4eb4517beb144c82de8ca71.png "8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid")
8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
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CAS No:
99777-91-0
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Formula:
C37H30N4O21S6
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Chemical Name:
8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
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Synonyms:
NF 058;99777-91-0;NSC641485;1,3,5-Naphthalenetrisulfonic acid, 8,8'-(carbonylbis(imino(4-methyl-3,1-phenylene)carbonylimino))bis-;1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino(4-methyl-3,1-phenylene)carbonylimino]]bis-;CHEMBL1207502;NCI60_014039;8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
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CAS No:
8-[[4-methyl-3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Basic Attributes
1059.1 g/mol
1057.9726810 g/mol
Computed Properties
Molecular Weight:1059.1
XLogP3:-0.1
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:21
Rotatable Bond Count:12
Exact Mass:1057.9726810
Monoisotopic Mass:1057.9726810
Topological Polar Surface Area:476
Heavy Atom Count:68
Complexity:2420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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