4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole

Systemtic Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole Openeye Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole CAS Name: 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole IUPAC Name: 4-cyclohexylsulfanyl-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole Traditional Name: 4-(cyclohexylthio)-3-(1,3-dioxolan-2-yl)-6-nitro-indoxazene Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC(=CC3=C2C(=NO3)C4OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=CC(=CC3=C2C(=NO3)C4OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c19-18(20)10-8-12-14(15(17-23-12)16-21-6-7-22-16)13(9-10)24-11-4-2-1-3-5-11/h8-9,11,16H,1-7H2