Basic information
- CAS
6472-75-9- Standard SMILES
CCOc1cc2c3c(ccc4c5ccc6c7c(cc(OCC)c(c1c34)c75)-c1ccccc1C6=O)C(=O)c1ccccc1-2- InChIKey
SCEODNGKLXPLHE-UHFFFAOYSA-N- Molecular formula
- C38H24O4
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.16745924
Names & identifiers
- Preferred name
- 16,17-Diethoxyviolanthrene-5,10-dione
- IUPAC
- 30,34-diethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
- English name
- 16,17-diethoxyviolanthrene-5,10-dione
- Molecular formula
- C38H24O4
- Molecular weight
- 544.59
Names & synonyms
16,17-Diethoxyviolanthrene-5,10-dione6472-75-9EINECS 229-323-716,17-diethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dioneDTXSID50215061SCEODNGKLXPLHE-UHFFFAOYSA-NNS00021314C.I.59835Vat Green 4C.I.Vat Green 4Vat green 4 (C.I. 59835)C.I.Vat Green 4:C.I.59835
Show more names
Romantrene Brilliant Green F-3B16,17-Diethoxydinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione
Database identifiers
- CAS
6472-75-9- PubChem CID
- 80966
- DTXSID
DTXSID50215061- EC Number
- 229-323-7
- Nikkaji
- J55.744G
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,000
Chemistry & industry
Preparation methods
Preparationfashion and C.I. Vat Green 1 (C.I. 59825) the same,except that instead of using ethylated compound methylated compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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