[(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl] 2-nitrobenzenesulfonate

Systemtic Name: [(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl] 2-nitrobenzenesulfonate Openeye Name: [(2S)-2-isopropenyl-2,3-dihydrobenzofuran-4-yl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [(2S)-2-(1-methylethenyl)-2,3-dihydrobenzofuran-4-yl] ester IUPAC Name: [(2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-yl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [(2S)-2-isopropenylcoumaran-4-yl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC2=C(O1)C=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=C)[C@@H]1CC2=C(O1)C=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6S/c1-11(2)16-10-12-14(23-16)7-5-8-15(12)24-25(21,22)17-9-4-3-6-13(17)18(19)20/h3-9,16H,1,10H2,2H3/t16-/m0/s1