Registration Dossier
Registration Dossier
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EC number: 248-702-8 | CAS number: 27870-92-4
Reference substances
- IUPAC name:
- 14-octadecyl-8-thia-14-azapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
Inventory
- EC number:
- 248-702-8
- EC name:
- 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
- CAS number:
- 27870-92-4
- CAS number:
- 27870-92-4
Synonyms
- Names:
- 2-octadecyl-1h-thioxantheno[2,1,9-def]isoquinoline-1,3(2h)-dione
- Identifier:
- IUPAC name
- 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
- Identifier:
- IUPAC name
- 2-octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
- Identifier:
- IUPAC name
- Solvent Yellow 98
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3Sc4ccccc4c5ccc(C1=O)c2c35
- Identifier:
- other: InChl
- InChI=1/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3
- Identifier:
- other: InChl
- InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)
- Identifier:
- other: SMILES notation
- c12c3c4ccc1C(=O)N(CCCCCCCCCCCCCCCCCC)C(=O)C2=CC=C3Sc1c4cccc1
- 2-octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione
Molecular and structural information
- Molecular formula:
- C36H45NO2S
- Molecular weight:
- 555.823
- SMILES notation:
- n1(c(c2ccc3c4c2c(c1=O)ccc4sc1ccccc31)=O)CCCCCCCCCCCCCCCCCC
- InChl:
- 1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3
- Structural formula:
Related substances
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