3-(1-azanylethylidene)-6-fluoranyl-5,7,8-tris(2-hydroxyethylsulfanyl)chromene-2,4-dione

Systemtic Name: 3-(1-azanylethylidene)-6-fluoranyl-5,7,8-tris(2-hydroxyethylsulfanyl)chromene-2,4-dione Openeye Name: 3-(1-aminoethylidene)-6-fluoro-5,7,8-tris(2-hydroxyethylsulfanyl)chromane-2,4-dione CAS Name: 3-(1-aminoethylidene)-6-fluoro-5,7,8-tris(2-hydroxyethylthio)-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-(1-aminoethylidene)-6-fluoro-5,7,8-tris(2-hydroxyethylsulfanyl)chromene-2,4-dione Traditional Name: 3-(1-aminoethylidene)-6-fluoro-5,7,8-tris(2-hydroxyethylthio)chroman-2,4-quinone Formula: C17H20FNO6S3 MolecularWeight: 449.537203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=C(C(=C(C(=C2SCCO)F)SCCO)SCCO)OC1=O)N

Isomeric SMILES

CC(=C1C(=O)C2=C(C(=C(C(=C2SCCO)F)SCCO)SCCO)OC1=O)N

InChI

InChI=1S/C17H20FNO6S3/c1-8(19)9-12(23)10-13(25-17(9)24)16(28-7-4-22)15(27-6-3-21)11(18)14(10)26-5-2-20/h20-22H,2-7,19H2,1H3