[(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl 4-nitrobenzoate

Systemtic Name: [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl 4-nitrobenzoate Openeye Name: [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl ester IUPAC Name: [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC2(O1)CCCCC2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@]1(COC2(O1)CCCCC2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23NO6/c1-2-17(13-24-18(25-17)10-4-3-5-11-18)12-23-16(20)14-6-8-15(9-7-14)19(21)22/h6-9H,2-5,10-13H2,1H3/t17-/m1/s1