[(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl nitrate

Systemtic Name: [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl nitrate Openeye Name: [(5S)-5-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]tetrahydrofuran-2-yl]methyl nitrate CAS Name: nitric acid [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-oxolanyl]methyl ester IUPAC Name: [(5S)-5-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]oxolan-2-yl]methyl nitrate Traditional Name: nitric acid [(5S)-5-[(3aR,5R,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]tetrahydrofuran-2-yl]methyl ester Formula: C19H25NO8 MolecularWeight: 395.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C(OC2O1)C3CCC(O3)CO[N+](=O)[O-])OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H]3CCC(O3)CO[N+](=O)[O-])OCC4=CC=CC=C4)C

InChI

InChI=1S/C19H25NO8/c1-19(2)27-17-16(23-10-12-6-4-3-5-7-12)15(26-18(17)28-19)14-9-8-13(25-14)11-24-20(21)22/h3-7,13-18H,8-11H2,1-2H3/t13?,14-,15+,16-,17+,18+/m0/s1