[2-(3-nitrophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-nitrophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-nitrophenyl)-2-tetrahydropyran-2-yloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-nitrophenyl)-2-(2-oxanyloxy)ethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-nitrophenyl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC(=CC=C2)[N+](=O)[O-])OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC(=CC=C2)[N+](=O)[O-])OC3CCCCO3

InChI

InChI=1S/C20H23NO7S/c1-15-8-10-18(11-9-15)29(24,25)27-14-19(28-20-7-2-3-12-26-20)16-5-4-6-17(13-16)21(22)23/h4-6,8-11,13,19-20H,2-3,7,12,14H2,1H3