[(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] benzoate

Systemtic Name: [(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] benzoate Openeye Name: [(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] benzoate CAS Name: benzoic acid [(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] ester IUPAC Name: [(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] benzoate Traditional Name: benzoic acid [(5aS,9aS)-3-ethoxy-5a,6,7,8,9,9a-hexahydrodibenzo-p-dioxin-2-yl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC3CCCCC3O2)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)O[C@H]3CCCC[C@@H]3O2)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22O5/c1-2-23-17-12-19-20(25-16-11-7-6-10-15(16)24-19)13-18(17)26-21(22)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16H,2,6-7,10-11H2,1H3/t15-,16-/m0/s1