Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C25H27N2NaO6S2
- Molecular weight
- 538.6 g/mol
- IUPAC name
- sodium 4-[(Z)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate
- SMILES
- CCNC1=C(C=C(C=C1)/C(=C/2\C=CC(=NCC)C(=C2)C)/C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)O)C.[Na+]
- InChIKey
- VVLFAAMTGMGYBS-VARVZIDFSA-M
- Polar surface area
- 153 Ų
- H-bond donors
- 2
- H-bond acceptors
- 8
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 538.12085
Show 3 more facts
- chemical formula
- C₂₅H₂₇N₂NaO₆S₂
- isomeric SMILES
- CCNC1=CC=C(C=C1C)/C(=C/2\C=C/C(=N/CC)/C(=C2)/C)/C3=CC=C(C=C3OS(=O)O)OS(=O)[O-].[Na+]
- canonical SMILES
- CCNC1=CC=C(C=C1C)C(=C2C=CC(=NCC)C(=C2)C)C3=CC=C(C=C3OS(=O)O)OS(=O)[O-].[Na+]
Sources (1)
via Wikidata · CC0