Basic information
- CAS
6661-25-2- Standard SMILES
O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccc(Sc2ccc(N/N=C3/C(=O)C=Cc4cc(S(=O)(=O)O)ccc43)cc2)cc1- InChIKey
OJAXFXNJSOMMFI-KDJHSEOYSA-N- Molecular formula
- C32H22N4O8S3
- Average molar mass
- 686.7 g/mol
- Monoisotopic mass
- 686.05997719
Names & identifiers
- Preferred name
- (5Z)-6-Oxo-5-{2-[4-({4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1(2H)-ylidene)hydrazinyl]phenyl}sulfanyl)phenyl]hydrazinylidene}-5,6-dihydronaphthalene-2-sulfonic acid
- IUPAC
- (5E)-6-oxo-5-[[4-[4-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID80712755(5Z)-6-Oxo-5-{2-[4-({4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1(2H)-ylidene)hydrazin-1-yl]phenyl}sulfanyl)phenyl]hydrazinylidene}-5,6-dihydronaphthalene-2-sulfonic acid(5Z)-6-Oxo-5-{2-[4-({4-[(2E)-2-(2-oxo-6-sulfonaphthalen-1(2H)-ylidene)hydrazinyl]phenyl}sulfanyl)phenyl]hydrazinylidene}-5,6-dihydronaphthalene-2-sulfonic acid
Database identifiers
- CAS
6661-25-2- PubChem CID
- 54599415
- DTXSID
DTXSID80712755
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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