Basic information
- CAS
71215-90-2- Standard SMILES
CC1=C/C(=C(\c2cc(C)c(N)c(S(=O)(=O)[O-])c2)c2ccc(N)c(S(=O)(=O)O)c2)C=C(S(=O)(=O)[O-])C1=N.[Na+].[Na+]- InChIKey
NALGXPAVQYRCSF-CTCBGHSMSA-L- Molecular formula
- C21H19N3Na2O9S3
- Average molar mass
- 599.6 g/mol
- Monoisotopic mass
- 599.00788128
Names & identifiers
- Preferred name
- Disodium 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonate
- IUPAC
- disodium;2-amino-5-[(E)-(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate
Names & synonyms
Disodium 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-methyl-5-sulfonatocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonate
Database identifiers
- CAS
71215-90-2- PubChem CID
- 5490609
Properties
Computed structural properties
- Topological polar surface area
- 270 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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