[(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] 4-nitrobenzoate

Systemtic Name: [(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] 4-nitrobenzoate Openeye Name: [(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] ester IUPAC Name: [(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(6S,7R)-1,4-dioxadispiro[4.0.5^{6}.4^{5}]pentadec-9-en-7-yl] ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C3(C1)CC=CCC3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCCO2

Isomeric SMILES

C1CCC2([C@@]3(C1)CC=CC[C@H]3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OCCO2

InChI

InChI=1S/C20H23NO6/c22-18(15-6-8-16(9-7-15)21(23)24)27-17-5-1-2-10-19(17)11-3-4-12-20(19)25-13-14-26-20/h1-2,6-9,17H,3-5,10-14H2/t17-,19-/m1/s1