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Basic information
- CAS
34599-04-7- Standard SMILES
O=S(=O)([O-])OC1=CC=c2cc3c4c(ccc3cc2C1)-c1c(c(OS(=O)(=O)[O-])cc2c1cc1ncc3c5c(c(OS(=O)(=O)[O-])cc2c15)C1N=c2c5ccccc5cc5cc(OS(=O)(=O)[O-])c=3c1c25)N=4.[Na+].[Na+].[Na+].[Na+]- InChIKey
YHVWFMCFWYDREW-UHFFFAOYSA-J- Molecular formula
- C45H19N3Na4O16S4
- Average molar mass
- 1,077.9 g/mol
- Monoisotopic mass
- 1,076.92389265
Names & identifiers
- Preferred name
- Vat Solubilized Gray S
- IUPAC
- tetrasodium;(4,13,29-trisulfonatooxy-6,25,48-triazatridecacyclo[25.18.2.139,42.02,22.05,21.07,20.08,17.010,15.024,46.028,41.031,40.033,38.043,47]octatetraconta-1,3,5(21),6,8,10,12,15,17,19,22,24(46),25,27,29,31,33,35,37,39(48),40,43(47),44-tricosaen-44-yl) sulfate
Names & synonyms
Vat Solubilized Gray SDTXSID3027689739215-42-4RefChem:1100950DTXCID00228065Kubosol Gray SAnthrasol Grey IMGC.I. Solubilized Vat Black 8C.I. 71001tetrasodium 4,18a-dihydrobenzo[lmn]naphtho[2',3':7,8]carbazolo[3,4-b]naphtho[1',2',3':3,4]isoindolo[7,1-ij]phenanthridine-3,11,19,22-tetrayl tetrasulfate1H-Benz(6,7)indazolo(2,3,4-fgh)naphth(2'',3'':6',7')indolo(3',2':5,6)anthra(2,1,9-mna)acridine-2,7,10,15-tetrol, tetrakis(hydrogen sulfate) (ester), tetrasodium salt
Database identifiers
- CAS
34599-04-7、39215-42-4- PubChem CID
- 214926
- DTXSID
DTXSID30276897
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 4
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 3,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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