(2R,3S,4S)-2-[3,4-bis(oxidanyl)phenyl]-4-(2-hydroxyethylsulfanyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Systemtic Name: (2R,3S,4S)-2-[3,4-bis(oxidanyl)phenyl]-4-(2-hydroxyethylsulfanyl)-3,4-dihydro-2H-chromene-3,5,7-triol Openeye Name: (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylsulfanyl)chromane-3,5,7-triol CAS Name: (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylthio)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol IUPAC Name: (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylsulfanyl)-3,4-dihydro-2H-chromene-3,5,7-triol Traditional Name: (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylthio)chroman-3,5,7-triol Formula: C17H18O7S MolecularWeight: 366.38562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCO)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@@H]([C@H](C3=C(C=C(C=C3O2)O)O)SCCO)O)O)O

InChI

InChI=1S/C17H18O7S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-23H,3-4H2/t15-,16+,17-/m0/s1