[2-(4-nitrophenyl)-1,3-dioxan-5-yl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-1,3-dioxan-5-yl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2-(4-nitrophenyl)-1,3-dioxan-5-yl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2-(4-nitrophenyl)-1,3-dioxan-5-yl] ester IUPAC Name: [2-(4-nitrophenyl)-1,3-dioxan-5-yl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [2-(4-nitrophenyl)-1,3-dioxan-5-yl] ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2COC(OC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2COC(OC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H31NO6/c1-2-3-4-5-16-6-8-17(9-7-16)21(24)29-20-14-27-22(28-15-20)18-10-12-19(13-11-18)23(25)26/h10-13,16-17,20,22H,2-9,14-15H2,1H3