4-(2,2-dimethoxyethyl)-2-nitro-1-octoxy-benzene

Systemtic Name: 4-(2,2-dimethoxyethyl)-2-nitro-1-octoxy-benzene Openeye Name: 4-(2,2-dimethoxyethyl)-2-nitro-1-octoxy-benzene CAS Name: 4-(2,2-dimethoxyethyl)-2-nitro-1-octoxybenzene IUPAC Name: 4-(2,2-dimethoxyethyl)-2-nitro-1-octoxybenzene Traditional Name: 4-(2,2-dimethoxyethyl)-2-nitro-1-octoxy-benzene Formula: C18H29NO5 MolecularWeight: 339.42656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CC(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CC(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H29NO5/c1-4-5-6-7-8-9-12-24-17-11-10-15(13-16(17)19(20)21)14-18(22-2)23-3/h10-11,13,18H,4-9,12,14H2,1-3H3