2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate

Modify Date: 2025-09-18 16:29:38

2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate Structure
2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate structure
 Common Name 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate
CAS Number 748080-29-7 Molecular Weight 544.68300
Density N/A Boiling Point N/A
Molecular Formula C27H32N2O6S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C27H32N2O6S2
Molecular Weight 544.68300
Exact Mass 544.17000
PSA 134.58000
LogP 6.26640
InChIKey YFKDCGWIINMRQY-UHFFFAOYSA-N
SMILES CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)[O-])cc1

 Synonyms

Isosulfan blue inner salt
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Chemsrc provides CAS#:748080-29-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate>> amp version: 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-sulfobenzenesulfonate

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