Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt
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Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt
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CAS No:
93917-96-5
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Formula:
C39H40N2O9S3
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Chemical Name:
Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt
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Synonyms:
Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-,inner salt;Benzenemethanaminium,N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-,hydroxide,inner salt
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CAS No:
Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl](4-sulfophenyl)methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt Basic Attributes
774.92202
777.197419 g/mol
299-877-2
Computed Properties
Molecular Weight:776.9
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:776.18959438
Monoisotopic Mass:776.18959438
Topological Polar Surface Area:197
Heavy Atom Count:53
Complexity:1730
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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