Benzenesulfonic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(2,4,6-triethyl-
Basic information
- CAS
65122-39-6- Standard SMILES
CCc1cc(CC)c(S(=O)(=O)O)c(CC)c1Nc1ccc(Nc2c(CC)cc(CC)c(S(=O)(=O)O)c2CC)c2c1C(=O)c1ccccc1C2=O- InChIKey
JPIJFOIMQDDHFY-UHFFFAOYSA-N- Molecular formula
- C38H42N2O8S2
- Average molar mass
- 718.9 g/mol
- Monoisotopic mass
- 718.23825865
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(2,4,6-triethyl-
- IUPAC
- 3-[[9,10-dioxo-4-(2,4,6-triethyl-3-sulfoanilino)anthracen-1-yl]amino]-2,4,6-triethylbenzenesulfonic acid
Names & synonyms
EINECS 265-487-6Benzenesulfonic acid, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-triethyl-DTXSID5070238Metanilic acid, N,N'-1,4-anthraquinonylenebis(2,4,6-triethyl-Benzenesulfonic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(2,4,6-triethyl-RefChem:564226DTXCID604451165122-39-63,3'-((9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl))bis(2,4,6-triethylbenzenesulfonic acid)JPIJFOIMQDDHFY-UHFFFAOYSA-NNS000358143,3'-((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(2,4,6-triethylbenzenesulphonic) acid
Show more names
3,3'-((9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl))bis(2,4,6-triethylbenzenesulfonicacid)3,3'-[(9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl)]bis(2,4,6-triethylbenzene-1-sulfonic acid)
Database identifiers
- CAS
65122-39-6
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,300
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-triethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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