methyl 2-[1-[2,5-bis(oxidanyl)phenyl]sulfanylcyclopropyl]-2-chloranyl-ethanoate

Systemtic Name: methyl 2-[1-[2,5-bis(oxidanyl)phenyl]sulfanylcyclopropyl]-2-chloranyl-ethanoate Openeye Name: methyl 2-chloro-2-[1-(2,5-dihydroxyphenyl)sulfanylcyclopropyl]acetate CAS Name: 2-chloro-2-[1-[(2,5-dihydroxyphenyl)thio]cyclopropyl]acetic acid methyl ester IUPAC Name: methyl 2-chloro-2-[1-(2,5-dihydroxyphenyl)sulfanylcyclopropyl]acetate Traditional Name: 2-chloro-2-[1-[(2,5-dihydroxyphenyl)thio]cyclopropyl]acetic acid methyl ester Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1(CC1)SC2=C(C=CC(=C2)O)O)Cl

Isomeric SMILES

COC(=O)C(C1(CC1)SC2=C(C=CC(=C2)O)O)Cl

InChI

InChI=1S/C12H13ClO4S/c1-17-11(16)10(13)12(4-5-12)18-9-6-7(14)2-3-8(9)15/h2-3,6,10,14-15H,4-5H2,1H3