(1S,6S)-6-[(R)-(5-chloranylthiophen-2-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(R)-(5-chloranylthiophen-2-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(R)-(5-chloro-2-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(R)-(5-chloro-2-thiophenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(R)-(5-chlorothiophen-2-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(R)-(5-chloro-2-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C12H12ClO3S- MolecularWeight: 271.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(C2=CC=C(S2)Cl)O)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1[C@H](C2=CC=C(S2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C12H13ClO3S/c13-10-6-5-9(17-10)11(14)7-3-1-2-4-8(7)12(15)16/h1-2,5-8,11,14H,3-4H2,(H,15,16)/p-1/t7-,8-,11+/m0/s1