2-chloroethyl 2-[(1R,5R)-5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]ethanoate

Systemtic Name: 2-chloroethyl 2-[(1R,5R)-5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]ethanoate Openeye Name: 2-chloroethyl 2-[(1R,5R)-5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]acetate CAS Name: 2-[(1R,5R)-5-[(2,4-dinitrophenyl)thio]-1-cyclohex-3-enyl]acetic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2-[(1R,5R)-5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]acetate Traditional Name: 2-[(1R,5R)-5-[(2,4-dinitrophenyl)thio]cyclohex-3-en-1-yl]acetic acid 2-chloroethyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1CC(=O)OCCCl)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C=C[C@@H](C[C@H]1CC(=O)OCCCl)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN2O6S/c17-6-7-25-16(20)9-11-2-1-3-13(8-11)26-15-5-4-12(18(21)22)10-14(15)19(23)24/h1,3-5,10-11,13H,2,6-9H2/t11-,13-/m0/s1