ethyl (E)-3-[2,5-bis(oxidanyl)phenyl]sulfanylbut-2-enoate

Systemtic Name: ethyl (E)-3-[2,5-bis(oxidanyl)phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-3-(2,5-dihydroxyphenyl)sulfanylbut-2-enoate CAS Name: (E)-3-[(2,5-dihydroxyphenyl)thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2,5-dihydroxyphenyl)sulfanylbut-2-enoate Traditional Name: (E)-3-[(2,5-dihydroxyphenyl)thio]but-2-enoic acid ethyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)SC1=C(C=CC(=C1)O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/SC1=C(C=CC(=C1)O)O

InChI

InChI=1S/C12H14O4S/c1-3-16-12(15)6-8(2)17-11-7-9(13)4-5-10(11)14/h4-7,13-14H,3H2,1-2H3/b8-6+