[(2S)-2-[(1R)-4-methylidenecyclohex-2-en-1-yl]propyl] 4-nitrobenzenesulfonate

Systemtic Name: [(2S)-2-[(1R)-4-methylidenecyclohex-2-en-1-yl]propyl] 4-nitrobenzenesulfonate Openeye Name: [(2S)-2-[(1R)-4-methylenecyclohex-2-en-1-yl]propyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2S)-2-[(1R)-4-methylene-1-cyclohex-2-enyl]propyl] ester IUPAC Name: [(2S)-2-[(1R)-4-methylidenecyclohex-2-en-1-yl]propyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(2S)-2-[(1R)-4-methylenecyclohex-2-en-1-yl]propyl] ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2CCC(=C)C=C2

Isomeric SMILES

C[C@H](COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])[C@@H]2CCC(=C)C=C2

InChI

InChI=1S/C16H19NO5S/c1-12-3-5-14(6-4-12)13(2)11-22-23(20,21)16-9-7-15(8-10-16)17(18)19/h3,5,7-10,13-14H,1,4,6,11H2,2H3/t13-,14+/m1/s1