8-(1-adamantylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-(1-adamantylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-(1-adamantylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(1-adamantylthio)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-(1-adamantylsulfanylmethyl)-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(1-adamantylthio)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C19H23NO4S/c21-20(22)17-4-15-9-23-11-24-18(15)16(5-17)10-25-19-6-12-1-13(7-19)3-14(2-12)8-19/h4-5,12-14H,1-3,6-11H2