2-methyl-3-(2-undecylsulfanylphenyl)oxirane-2-carboxylate

Systemtic Name: 2-methyl-3-(2-undecylsulfanylphenyl)oxirane-2-carboxylate Openeye Name: 2-methyl-3-(2-undecylsulfanylphenyl)oxirane-2-carboxylate CAS Name: 2-methyl-3-[2-(undecylthio)phenyl]-2-oxiranecarboxylate IUPAC Name: 2-methyl-3-(2-undecylsulfanylphenyl)oxirane-2-carboxylate Traditional Name: 2-methyl-3-[2-(undecylthio)phenyl]oxirane-2-carboxylate Formula: C21H31O3S- MolecularWeight: 363.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=CC=CC=C1C2C(O2)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCSC1=CC=CC=C1C2C(O2)(C)C(=O)[O-]

InChI

InChI=1S/C21H32O3S/c1-3-4-5-6-7-8-9-10-13-16-25-18-15-12-11-14-17(18)19-21(2,24-19)20(22)23/h11-12,14-15,19H,3-10,13,16H2,1-2H3,(H,22,23)/p-1