[(1R)-1-[(4R,5R)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]prop-2-enyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-[(4R,5R)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]prop-2-enyl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(4R,5R)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]allyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-[(4R,5R)-2,2-dimethyl-5-(phenylthio)-1,3-dioxolan-4-yl]prop-2-enyl] ester IUPAC Name: [(1R)-1-[(4R,5R)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]prop-2-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(4R,5R)-2,2-dimethyl-5-(phenylthio)-1,3-dioxolan-4-yl]allyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)SC2=CC=CC=C2)C(C=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(O[C@@H]([C@H](O1)SC2=CC=CC=C2)[C@@H](C=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21NO6S/c1-4-17(26-19(23)14-10-12-15(13-11-14)22(24)25)18-20(28-21(2,3)27-18)29-16-8-6-5-7-9-16/h4-13,17-18,20H,1H2,2-3H3/t17-,18-,20-/m1/s1