Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-
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Basic information
- CAS
3443-90-1- Standard SMILES
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1- InChIKey
BGBDMEPBLWJCHI-UHFFFAOYSA-N- Molecular formula
- C28H22N2O8S2
- Average molar mass
- 578.6 g/mol
- Monoisotopic mass
- 578.08175801
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-
- IUPAC
- 5-methyl-2-[[4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
- English name
- 2,2'-[(9,10-Dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methylbenzenesulfonic acid]
- Molecular formula
- C28H22N2O8S2
- Molecular weight
- 578.62
Names & synonyms
Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-DTXSID9063033Benzenesulfonic acid, 2,2'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(5-methyl-RefChem:564042DTXCID80388513443-90-1Solway Green GNSC 7795NSC7795Anthralan Green B5-methyl-2-[[4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acidD and C green #5
Show more names
1,4-Bis(4-methyl-2-sulfophenylamino)anthraquinone2,2'-(9,10-Dihydro-9,10-dioxo-1,4-anthracenediylbisimino)bis(5-methylbenzenesulfonic acid)2,2'-[(9,10-Dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methylbenzenesulfonic acid]2,2'-[[(9,10-Dihydro-9,10-dioxoanthracene)-1,4-diyl]diimino]bis[5-methylbenzenesulfonic acid]
SCHEMBL344329CHEMBL1093197SCHEMBL29678418BGBDMEPBLWJCHI-UHFFFAOYSA-NNCI60_0417171,4-bis-(o-sulfo-p-toluidino)-anthrachinonNS000135235-methyl-2-[[4-(4-methyl-2-sulfo-anilino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid
Database identifiers
- CAS
3443-90-1- PubChem CID
- 20432
- DTXSID
DTXSID9063033- ChEMBL
CHEMBL1093197- Nikkaji
- J216.018H
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,090
Experimental & physicochemical properties
Collision Cross Section235.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2024903]
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl- (3443-90-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[5-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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