2-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 2-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)propan-2-yl 4-nitrobenzoate Openeye Name: [1-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)-1-methyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)propan-2-yl ester IUPAC Name: 2-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(3-hex-1-enylidene-8,8-dimethyl-7,9-dioxaspiro[4.5]decan-2-yl)-1-methyl-ethyl] ester Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C=C1CC2(CC1C(C)(C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(OC2)(C)C

Isomeric SMILES

CCCCC=C=C1CC2(CC1C(C)(C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(OC2)(C)C

InChI

InChI=1S/C26H35NO6/c1-6-7-8-9-10-20-15-26(17-31-25(4,5)32-18-26)16-22(20)24(2,3)33-23(28)19-11-13-21(14-12-19)27(29)30/h9,11-14,22H,6-8,15-18H2,1-5H3